#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hbl s ILE 37 N 0.00 3.98 -0.10 -0.39 1.01 -1.26 -4.94 121.20 119.51 3hbl s ILE 37 Ca 0.00 -2.28 -0.21 0.00 0.00 0.00 0.00 60.65 58.16 3hbl s ILE 37 Cb 0.00 -3.62 -0.18 0.00 0.01 0.00 0.00 42.46 38.68 3hbl s ILE 37 CO 0.00 -0.81 0.68 0.11 0.00 0.00 0.00 174.94 174.92 3hbl h LYS 38 N 7.85 -0.06 -4.97 2.79 1.79 -1.95 -3.45 116.57 118.57 3hbl h LYS 38 Ca -0.10 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 57.85 3hbl h LYS 38 Cb 1.03 0.01 -0.32 0.00 -1.58 0.00 0.00 32.23 31.37 3hbl h LYS 38 CO 0.77 0.55 -0.82 0.21 -1.08 0.00 0.00 179.45 179.07 3hbl s LYS 39 N -2.56 1.62 -0.04 3.15 2.20 -1.26 -1.91 119.74 120.95 3hbl s LYS 39 Ca -0.13 -0.51 0.07 0.00 -0.36 0.00 0.00 55.97 55.04 3hbl s LYS 39 Cb -0.01 -1.40 -0.01 0.00 -1.51 0.00 0.00 37.83 34.89 3hbl s LYS 39 CO 0.49 0.16 -0.25 -1.17 -0.36 0.00 0.00 175.35 174.23 3hbl s LEU 40 N 0.23 2.05 -0.07 5.43 0.20 0.14 -1.41 118.68 125.26 3hbl s LEU 40 Ca -0.07 -0.48 0.03 0.00 0.69 0.00 0.00 54.13 54.30 3hbl s LEU 40 Cb -0.12 -1.32 -0.02 0.00 -0.43 0.00 0.00 46.19 44.30 3hbl s LEU 40 CO 0.02 0.27 -0.14 -0.22 -0.29 0.00 0.00 176.35 175.99 3hbl s LEU 41 N -0.35 2.72 -0.25 -0.68 0.20 0.18 -0.39 118.68 120.11 3hbl s LEU 41 Ca 0.03 -0.23 -0.10 0.00 0.69 0.00 0.00 54.13 54.51 3hbl s LEU 41 Cb -0.12 -1.57 -0.05 0.00 -0.43 0.00 0.00 46.19 44.03 3hbl s LEU 41 CO 0.01 0.30 0.14 -0.69 -0.29 0.00 0.00 176.35 175.82 3hbl s VAL 42 N -0.44 5.09 -0.88 1.68 1.01 -0.87 -0.62 120.40 125.36 3hbl s VAL 42 Ca 0.05 0.09 -0.04 0.00 0.00 0.00 0.00 61.98 62.09 3hbl s VAL 42 Cb -0.12 -3.38 0.17 0.00 0.00 0.00 0.00 36.38 33.04 3hbl s VAL 42 CO 0.02 0.32 2.38 0.00 0.00 0.00 0.00 175.10 177.82 3hbl n ALA 43 N 4.58 6.52 -3.00 5.51 0.00 -0.76 -3.96 120.51 129.40 3hbl n ALA 43 Ca -0.15 -3.80 0.00 0.00 0.00 0.00 0.00 53.44 49.49 3hbl n ALA 43 Cb 0.52 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.65 3hbl n ALA 43 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3hbl n ASN 44 N 0.75 0.00 -3.83 0.00 4.05 -1.26 -4.73 115.26 110.23 3hbl n ASN 44 Ca 0.54 -0.55 -0.10 0.00 0.45 0.00 0.00 54.58 54.92 3hbl n ASN 44 Cb 0.36 0.00 -0.05 0.00 1.23 0.00 0.00 39.78 41.32 3hbl n ASN 44 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3hbl s ARG 45 N -0.64 1.64 2.88 1.20 1.70 -1.26 -4.59 118.95 119.88 3hbl s ARG 45 Ca 0.00 -1.34 0.00 0.00 -0.47 0.00 0.00 55.73 53.92 3hbl s ARG 45 Cb 0.00 0.48 0.00 0.00 -0.57 0.00 0.00 34.95 34.86 3hbl s ARG 45 CO 0.00 -0.69 0.00 0.41 -1.08 0.00 0.00 175.30 173.94 3hbl n GLY 46 N -0.42 -0.48 0.37 3.88 0.00 -1.26 -3.54 105.19 103.74 3hbl n GLY 46 Ca -0.02 -1.10 0.03 0.00 0.00 0.00 0.00 46.02 44.93 3hbl n GLY 46 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3hbl h GLU 47 N 0.00 1.13 -0.33 1.61 -0.00 -1.85 -2.63 114.58 112.51 3hbl h GLU 47 Ca 0.00 -0.07 -0.09 0.00 -0.00 0.00 0.00 59.36 59.20 3hbl h GLU 47 Cb 0.00 -0.25 -0.01 0.00 -0.00 0.00 0.00 28.75 28.49 3hbl h GLU 47 CO 0.00 0.75 -0.16 0.97 -0.00 0.00 0.00 179.01 180.57 3hbl h ILE 48 N 1.16 1.29 -0.02 -1.06 6.09 -1.93 -0.39 117.51 122.65 3hbl h ILE 48 Ca 0.44 -1.27 0.02 0.00 -1.37 0.00 0.00 64.86 62.68 3hbl h ILE 48 Cb 0.20 1.41 -0.03 0.00 0.47 0.00 0.00 36.82 38.87 3hbl h ILE 48 CO -0.18 0.41 -0.12 0.00 -3.07 0.00 0.00 178.15 175.19 3hbl h ALA 49 N 0.77 -0.12 -0.29 0.18 0.00 -1.55 -1.33 119.26 116.92 3hbl h ALA 49 Ca 0.07 0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.07 3hbl h ALA 49 Cb 0.69 0.22 -0.07 0.00 0.00 0.00 0.00 17.79 18.63 3hbl h ALA 49 CO 0.05 -0.61 -0.22 0.82 0.00 0.00 0.00 179.25 179.29 3hbl h ILE 50 N -0.20 0.42 -0.55 0.00 2.04 -1.29 -0.19 117.51 117.74 3hbl h ILE 50 Ca 0.05 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.99 3hbl h ILE 50 Cb 0.26 0.42 -0.06 0.00 -0.74 0.00 0.00 36.82 36.69 3hbl h ILE 50 CO -0.13 0.00 0.20 -0.09 0.00 0.00 0.00 178.15 178.13 3hbl h ARG 51 N -0.20 0.37 -0.51 2.37 9.65 -0.67 -1.10 114.38 124.30 3hbl h ARG 51 Ca 0.15 -0.02 -0.04 0.00 -1.10 0.00 0.00 59.98 58.97 3hbl h ARG 51 Cb 0.44 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 28.91 3hbl h ARG 51 CO -0.41 0.25 0.15 0.82 2.80 0.00 0.00 179.97 183.58 3hbl h ILE 52 N 0.38 1.23 -0.59 1.20 2.04 -0.77 -1.54 117.51 119.46 3hbl h ILE 52 Ca 0.27 -0.79 0.03 0.00 1.00 0.00 0.00 64.86 65.37 3hbl h ILE 52 Cb 0.31 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 37.14 3hbl h ILE 52 CO -0.27 0.29 0.36 -0.26 0.00 0.00 0.00 178.15 178.27 3hbl h PHE 53 N 0.69 0.67 -0.17 1.37 0.05 -0.01 0.11 116.94 119.66 3hbl h PHE 53 Ca 0.16 0.02 0.04 0.00 3.82 0.00 0.00 57.97 62.02 3hbl h PHE 53 Cb 0.29 -0.22 -0.05 0.00 2.00 0.00 0.00 35.95 37.97 3hbl h PHE 53 CO 0.02 0.38 -0.12 0.00 -0.18 0.00 0.00 178.31 178.41 3hbl h ARG 54 N 0.71 -0.12 -0.39 1.51 -0.00 -1.13 -1.73 114.38 113.23 3hbl h ARG 54 Ca 0.24 0.01 0.02 0.00 -0.50 0.00 0.00 59.98 59.74 3hbl h ARG 54 Cb 0.03 0.03 -0.03 0.00 0.00 0.00 0.00 29.97 30.00 3hbl h ARG 54 CO -0.10 -0.08 0.23 0.00 0.00 0.00 0.00 179.97 180.02 3hbl h ALA 55 N 1.00 0.49 -0.08 0.04 0.00 -0.15 -1.87 119.26 118.69 3hbl h ALA 55 Ca 0.10 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 3hbl h ALA 55 Cb 0.27 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3hbl h ALA 55 CO -0.24 -0.10 -0.38 0.00 0.00 0.00 0.00 179.25 178.52 3hbl h ALA 56 N 1.17 1.21 -0.25 0.00 0.00 -0.77 -2.50 119.26 118.13 3hbl h ALA 56 Ca 0.15 -0.38 -0.11 0.00 0.00 0.00 0.00 54.91 54.58 3hbl h ALA 56 Cb -0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3hbl h ALA 56 CO -0.07 0.54 -0.30 0.00 0.00 0.00 0.00 179.25 179.42 3hbl h ALA 57 N 1.47 1.01 -0.18 0.00 0.00 -0.80 0.34 119.26 121.09 3hbl h ALA 57 Ca 0.01 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.49 3hbl h ALA 57 Cb 0.75 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3hbl h ALA 57 CO 0.06 0.59 -0.15 0.93 0.00 0.00 0.00 179.25 180.68 3hbl h GLU 58 N 0.44 0.30 -0.45 0.00 5.08 -0.93 -1.92 114.58 117.09 3hbl h GLU 58 Ca 0.06 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3hbl h GLU 58 Cb 0.75 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.97 3hbl h GLU 58 CO 0.06 0.45 0.00 1.28 -1.00 0.00 0.00 179.01 179.80 3hbl n LEU 59 N -4.24 2.21 0.00 1.33 4.77 -0.92 -4.90 117.00 115.26 3hbl n LEU 59 Ca -0.00 -1.11 0.00 0.00 -0.03 0.00 0.00 56.01 54.86 3hbl n LEU 59 Cb 0.30 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 3hbl n LEU 59 CO 0.39 0.47 0.00 0.47 -1.33 0.00 0.00 177.39 177.39 3hbl n ASP 60 N 0.50 -2.44 -4.68 -1.43 9.92 -0.72 -4.97 116.55 112.72 3hbl n ASP 60 Ca 0.12 0.00 -0.41 0.00 -0.53 0.00 0.00 54.79 53.97 3hbl n ASP 60 Cb 0.39 -1.66 -0.04 0.00 -0.64 0.00 0.00 41.12 39.17 3hbl n ASP 60 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3hbl s ILE 61 N -1.96 4.90 0.44 0.53 1.01 0.11 -4.96 121.20 121.28 3hbl s ILE 61 Ca 0.00 1.67 -0.25 0.00 0.00 0.00 0.00 60.65 62.07 3hbl s ILE 61 Cb 0.00 -4.15 -0.08 0.00 0.01 0.00 0.00 42.46 38.24 3hbl s ILE 61 CO 0.00 0.08 1.32 -0.55 0.00 0.00 0.00 174.94 175.79 3hbl s SER 62 N 1.07 6.08 0.15 3.58 0.15 -0.80 -3.81 113.70 120.12 3hbl s SER 62 Ca 0.40 2.69 0.09 0.00 0.70 0.00 0.00 55.95 59.83 3hbl s SER 62 Cb -0.17 -2.64 -0.04 0.00 -1.71 0.00 0.00 66.02 61.46 3hbl s SER 62 CO 0.15 -1.01 -0.17 0.42 1.20 0.00 0.00 173.24 173.83 3hbl s THR 63 N -1.28 2.83 -0.04 6.45 -4.23 -1.26 0.27 115.64 118.37 3hbl s THR 63 Ca 0.60 -1.66 0.01 0.00 -1.18 0.00 0.00 61.69 59.46 3hbl s THR 63 Cb -0.38 -2.34 0.02 0.00 1.34 0.00 0.00 72.50 71.14 3hbl s THR 63 CO 0.49 -0.00 -0.03 -0.69 -0.54 0.00 0.00 174.62 173.84 3hbl s VAL 64 N -1.40 0.45 0.05 2.29 1.01 0.47 -1.98 120.40 121.29 3hbl s VAL 64 Ca 0.20 -0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.16 3hbl s VAL 64 Cb -0.10 -0.50 -0.04 0.00 0.00 0.00 0.00 36.38 35.75 3hbl s VAL 64 CO 0.11 0.21 0.02 0.00 0.00 0.00 0.00 175.10 175.45 3hbl s ALA 65 N 1.05 3.37 0.09 5.51 0.00 -0.36 -2.06 121.76 129.37 3hbl s ALA 65 Ca -0.09 -1.03 0.07 0.00 0.00 0.00 0.00 51.96 50.91 3hbl s ALA 65 Cb -0.14 -1.32 -0.04 0.00 0.00 0.00 0.00 23.12 21.62 3hbl s ALA 65 CO -0.01 0.70 -0.09 0.96 0.00 0.00 0.00 175.76 177.31 3hbl s ILE 66 N -1.25 3.40 0.02 0.00 -4.36 -1.25 -1.33 121.20 116.43 3hbl s ILE 66 Ca 0.24 -1.22 -0.09 0.00 -0.26 0.00 0.00 60.65 59.33 3hbl s ILE 66 Cb -0.12 -2.58 0.00 0.00 1.25 0.00 0.00 42.46 41.01 3hbl s ILE 66 CO 0.16 0.14 0.17 -0.72 0.24 0.00 0.00 174.94 174.93 3hbl s TYR 67 N -1.20 0.04 0.71 1.37 1.13 -0.89 -4.84 117.35 113.67 3hbl s TYR 67 Ca 0.21 -0.19 -0.04 0.00 -1.41 0.00 0.00 57.07 55.64 3hbl s TYR 67 Cb -0.11 -0.04 0.10 0.00 -1.10 0.00 0.00 41.96 40.81 3hbl s TYR 67 CO 0.13 -0.36 1.00 -1.54 -2.51 0.00 0.00 175.55 172.27 3hbl s SER 68 N -1.73 4.53 0.27 -0.18 1.04 -1.26 -1.45 113.70 114.91 3hbl s SER 68 Ca -0.10 0.05 -0.02 0.00 0.48 0.00 0.00 55.95 56.36 3hbl s SER 68 Cb -0.04 -0.57 0.36 0.00 0.10 0.00 0.00 66.02 65.86 3hbl s SER 68 CO -0.01 -1.74 1.80 -0.55 0.98 0.00 0.00 173.24 173.72 3hbl h ASN 69 N -0.57 0.80 -0.01 7.02 -1.07 -1.92 -2.18 115.58 117.64 3hbl h ASN 69 Ca -0.41 -0.16 0.00 0.00 0.07 0.00 0.00 56.30 55.80 3hbl h ASN 69 Cb 1.28 -0.21 0.00 0.00 -2.07 0.00 0.00 38.32 37.33 3hbl h ASN 69 CO 0.49 0.80 0.00 -0.62 0.07 0.00 0.00 177.43 178.17 3hbl n GLU 70 N -4.26 1.10 -0.12 4.14 1.02 -1.26 -2.72 120.64 118.54 3hbl n GLU 70 Ca 0.04 -0.15 0.05 0.00 -0.02 0.00 0.00 57.16 57.08 3hbl n GLU 70 Cb 0.25 -1.42 0.12 0.00 -0.02 0.00 0.00 31.44 30.37 3hbl n GLU 70 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3hbl n ASP 71 N -0.75 2.60 0.30 1.62 8.00 -0.84 -4.68 116.55 122.81 3hbl n ASP 71 Ca 0.20 -1.86 0.11 0.00 0.71 0.00 0.00 54.79 53.95 3hbl n ASP 71 Cb 0.13 -0.16 0.59 0.00 -0.02 0.00 0.00 41.12 41.66 3hbl n ASP 71 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 3hbl h LYS 72 N 1.90 0.00 -2.10 -1.24 3.64 -1.30 -2.13 116.57 115.35 3hbl h LYS 72 Ca 0.00 0.00 -0.58 0.00 -1.27 0.00 0.00 60.65 58.80 3hbl h LYS 72 Cb 0.64 0.00 -0.41 0.00 -0.41 0.00 0.00 32.23 32.06 3hbl h LYS 72 CO 0.00 0.00 -0.86 0.43 -2.27 0.00 0.00 179.45 176.75 3hbl n SER 73 N -2.64 2.02 -3.94 4.20 7.64 -1.26 -5.05 113.62 114.59 3hbl n SER 73 Ca -0.01 -3.09 -0.21 0.00 1.01 0.00 0.00 58.87 56.57 3hbl n SER 73 Cb 0.47 -0.65 -0.16 0.00 -1.01 0.00 0.00 64.21 62.86 3hbl n SER 73 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3hbl s SER 74 N -1.92 1.14 0.28 6.43 0.15 -0.80 -4.81 113.70 114.17 3hbl s SER 74 Ca 0.38 -0.17 -0.05 0.00 0.70 0.00 0.00 55.95 56.81 3hbl s SER 74 Cb 0.17 -0.51 0.55 0.00 -1.71 0.00 0.00 66.02 64.52 3hbl s SER 74 CO -0.06 -0.01 1.58 -0.07 1.20 0.00 0.00 173.24 175.88 3hbl h LEU 75 N 6.98 -0.62 -1.21 3.45 3.38 -1.91 -1.42 115.31 123.97 3hbl h LEU 75 Ca -0.36 0.26 0.21 0.00 0.09 0.00 0.00 57.88 58.08 3hbl h LEU 75 Cb 1.16 0.50 -0.09 0.00 0.09 0.00 0.00 40.66 42.32 3hbl h LEU 75 CO 0.48 -0.30 0.62 1.12 0.09 0.00 0.00 178.44 180.45 3hbl h HIS 76 N 0.02 0.86 -1.10 1.13 2.07 -1.92 0.47 115.15 116.68 3hbl h HIS 76 Ca 0.50 0.03 0.30 0.00 -2.85 0.00 0.00 60.37 58.35 3hbl h HIS 76 Cb 0.89 -0.26 -0.08 0.00 2.57 0.00 0.00 27.41 30.53 3hbl h HIS 76 CO -0.58 0.18 0.73 -0.09 -3.07 0.00 0.00 177.93 175.11 3hbl h ARG 77 N 0.61 0.25 -0.17 5.12 2.43 -1.59 -1.62 114.38 119.41 3hbl h ARG 77 Ca 0.55 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.71 3hbl h ARG 77 Cb 1.07 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.56 3hbl h ARG 77 CO -0.31 0.16 0.00 0.66 -1.51 0.00 0.00 179.97 178.97 3hbl n TYR 78 N -4.51 0.20 0.35 2.20 4.02 0.16 -4.34 117.16 115.24 3hbl n TYR 78 Ca 0.26 -0.10 0.09 0.00 -0.01 0.00 0.00 57.90 58.14 3hbl n TYR 78 Cb 1.03 0.00 -0.12 0.00 -0.02 0.00 0.00 39.34 40.23 3hbl n TYR 78 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 3hbl n LYS 79 N 1.07 0.88 -2.43 -0.72 4.76 -0.61 -4.94 118.16 116.17 3hbl n LYS 79 Ca 0.17 -0.09 -0.27 0.00 -2.87 0.00 0.00 58.31 55.25 3hbl n LYS 79 Cb 0.53 -1.37 0.03 0.00 -1.84 0.00 0.00 35.03 32.37 3hbl n LYS 79 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3hbl s ALA 80 N -2.97 3.33 0.23 7.82 0.00 -1.24 -4.89 121.76 124.04 3hbl s ALA 80 Ca -0.01 -0.69 -0.01 0.00 0.00 0.00 0.00 51.96 51.25 3hbl s ALA 80 Cb 0.12 -2.59 0.24 0.00 0.00 0.00 0.00 23.12 20.90 3hbl s ALA 80 CO 0.73 -0.75 1.61 -0.44 0.00 0.00 0.00 175.76 176.90 3hbl h ASP 81 N -0.12 0.58 -3.47 0.00 3.32 -1.80 -3.45 116.42 111.47 3hbl h ASP 81 Ca -0.45 -0.25 -0.43 0.00 0.02 0.00 0.00 57.03 55.92 3hbl h ASP 81 Cb 1.25 -0.16 -0.14 0.00 0.22 0.00 0.00 39.33 40.50 3hbl h ASP 81 CO 0.61 0.90 -0.66 -1.61 -1.72 0.00 0.00 179.24 176.76 3hbl s GLU 82 N -4.27 1.42 -0.05 3.56 2.02 -0.84 -5.03 118.70 115.51 3hbl s GLU 82 Ca -0.07 -1.72 -0.21 0.00 0.02 0.00 0.00 54.97 52.99 3hbl s GLU 82 Cb 0.12 -0.84 0.04 0.00 0.10 0.00 0.00 34.13 33.56 3hbl s GLU 82 CO 0.82 -0.04 0.47 -1.54 0.02 0.00 0.00 175.26 174.99 3hbl s SER 83 N -3.36 -0.40 -0.03 -0.19 1.04 -1.26 -1.22 113.70 108.27 3hbl s SER 83 Ca 0.29 0.44 -0.02 0.00 0.48 0.00 0.00 55.95 57.14 3hbl s SER 83 Cb 0.05 0.49 0.02 0.00 0.10 0.00 0.00 66.02 66.67 3hbl s SER 83 CO 0.10 -0.47 0.07 -0.31 0.98 0.00 0.00 173.24 173.61 3hbl s TYR 84 N -1.06 -0.07 0.12 5.02 1.51 -0.44 -4.94 117.35 117.50 3hbl s TYR 84 Ca -0.11 0.21 -0.31 0.00 -1.01 0.00 0.00 57.07 55.85 3hbl s TYR 84 Cb -0.03 -0.04 -0.09 0.00 -0.11 0.00 0.00 41.96 41.70 3hbl s TYR 84 CO 0.06 -0.06 1.48 -1.17 -1.11 0.00 0.00 175.55 174.74 3hbl s LEU 85 N 0.38 4.37 0.02 -1.29 2.96 -1.26 -2.10 118.68 121.76 3hbl s LEU 85 Ca -0.03 2.43 -0.26 0.00 -0.22 0.00 0.00 54.13 56.05 3hbl s LEU 85 Cb -0.04 -3.58 -0.17 0.00 0.50 0.00 0.00 46.19 42.89 3hbl s LEU 85 CO -0.01 -0.74 1.35 0.58 -1.32 0.00 0.00 176.35 176.21 3hbl h VAL 86 N 4.27 0.76 0.00 1.68 2.07 -1.59 -3.47 116.25 119.96 3hbl h VAL 86 Ca -0.42 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 66.60 3hbl h VAL 86 Cb 1.20 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 3hbl h VAL 86 CO 0.89 0.10 0.00 0.61 0.02 0.00 0.00 177.57 179.19 3hbl n GLY 87 N -0.50 2.35 0.49 2.17 0.00 -1.26 -4.93 105.19 103.50 3hbl n GLY 87 Ca -0.10 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3hbl n GLY 87 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hbl n SER 88 N 0.00 0.91 0.04 1.61 3.41 -1.26 -3.03 113.62 115.30 3hbl n SER 88 Ca 0.00 -1.87 -0.01 0.00 -0.26 0.00 0.00 58.87 56.73 3hbl n SER 88 Cb 0.00 -0.46 -0.08 0.00 -0.26 0.00 0.00 64.21 63.42 3hbl n SER 88 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3hbl h ASP 89 N 0.06 0.00 -3.80 4.04 3.32 -2.03 -3.47 116.42 114.54 3hbl h ASP 89 Ca 0.00 0.00 -0.68 0.00 0.02 0.00 0.00 57.03 56.37 3hbl h ASP 89 Cb 0.46 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 39.81 3hbl h ASP 89 CO 0.00 0.64 -0.82 -0.76 -1.72 0.00 0.00 179.24 176.57 3hbl s LEU 90 N -5.94 2.57 0.83 1.55 1.02 -1.17 -5.13 118.68 112.41 3hbl s LEU 90 Ca -0.02 -0.61 -0.12 0.00 0.02 0.00 0.00 54.13 53.41 3hbl s LEU 90 Cb 0.08 -1.44 0.10 0.00 0.02 0.00 0.00 46.19 44.95 3hbl s LEU 90 CO 0.80 0.18 1.15 -0.83 0.02 0.00 0.00 176.35 177.68 3hbl s GLY 91 N -2.06 1.88 0.33 -3.19 0.00 -1.26 -4.66 107.32 98.35 3hbl s GLY 91 Ca 0.16 0.62 0.09 0.00 0.00 0.00 0.00 44.72 45.59 3hbl s GLY 91 CO 0.08 1.02 1.78 -2.55 0.00 0.00 0.00 173.10 173.43 3hbl h PRO 92 N -1.28 0.64 -0.28 2.90 0.11 -1.98 -0.08 132.00 132.03 3hbl h PRO 92 Ca -0.44 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 3hbl h PRO 92 Cb 1.27 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3hbl h PRO 92 CO 0.46 0.43 0.16 0.00 -0.21 0.00 0.00 178.00 178.83 3hbl h ALA 93 N 1.65 0.35 -0.01 -0.75 0.00 -1.91 -3.11 119.26 115.47 3hbl h ALA 93 Ca 0.57 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.43 3hbl h ALA 93 Cb 1.03 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3hbl h ALA 93 CO -0.35 -0.14 -0.18 -1.91 0.00 0.00 0.00 179.25 176.67 3hbl n GLU 94 N -4.85 0.94 0.23 0.00 4.07 -0.56 -4.00 120.64 116.47 3hbl n GLU 94 Ca -0.02 -0.50 0.15 0.00 -0.06 0.00 0.00 57.16 56.73 3hbl n GLU 94 Cb 0.06 -1.49 0.51 0.00 -0.06 0.00 0.00 31.44 30.46 3hbl n GLU 94 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 3hbl h SER 95 N 1.23 0.00 -0.02 4.31 0.87 -0.98 -0.73 113.55 118.22 3hbl h SER 95 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3hbl h SER 95 Cb 0.47 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.43 3hbl h SER 95 CO 0.00 0.00 -0.04 -1.22 -0.53 0.00 0.00 176.83 175.04 3hbl n TYR 96 N -2.92 0.00 0.03 2.24 4.02 -1.26 -4.49 117.16 114.80 3hbl n TYR 96 Ca 0.02 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 57.97 3hbl n TYR 96 Cb 0.36 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.58 3hbl n TYR 96 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 3hbl n LEU 97 N 0.78 0.04 -4.56 7.72 4.32 -0.96 -4.74 117.00 119.61 3hbl n LEU 97 Ca 0.09 -0.03 -0.28 0.00 -0.02 0.00 0.00 56.01 55.77 3hbl n LEU 97 Cb 0.40 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 42.15 3hbl n LEU 97 CO 0.12 0.01 1.43 0.21 -1.22 0.00 0.00 177.39 177.94 3hbl s ASN 98 N -3.39 4.90 0.16 -1.43 3.84 -0.32 -4.85 114.94 113.85 3hbl s ASN 98 Ca -0.04 -0.19 -0.17 0.00 0.21 0.00 0.00 52.86 52.67 3hbl s ASN 98 Cb 0.08 -2.55 0.09 0.00 -0.55 0.00 0.00 41.25 38.33 3hbl s ASN 98 CO 0.53 -2.87 1.67 0.40 -2.79 0.00 0.00 177.10 174.04 3hbl h ILE 99 N 7.28 0.63 0.10 -5.21 2.04 -1.91 -3.15 117.51 117.30 3hbl h ILE 99 Ca -0.02 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 3hbl h ILE 99 Cb 1.06 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 37.75 3hbl h ILE 99 CO 1.17 0.00 -0.05 -0.33 0.00 0.00 0.00 178.15 178.95 3hbl h GLU 100 N 0.02 -0.13 0.00 2.37 4.39 -2.00 -3.02 114.58 116.21 3hbl h GLU 100 Ca 0.19 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.90 3hbl h GLU 100 Cb 0.28 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 3hbl h GLU 100 CO -0.39 0.11 0.00 -0.09 -1.16 0.00 0.00 179.01 177.48 3hbl h ARG 101 N -0.36 0.00 -0.31 2.33 2.43 -1.96 -1.72 114.38 114.78 3hbl h ARG 101 Ca -0.01 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.05 3hbl h ARG 101 Cb 0.30 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 3hbl h ARG 101 CO 0.02 0.00 -0.21 0.82 -1.51 0.00 0.00 179.97 179.09 3hbl h ILE 102 N 0.00 1.30 -0.49 1.20 2.04 -1.51 -2.44 117.51 117.60 3hbl h ILE 102 Ca 0.00 -1.34 0.02 0.00 1.00 0.00 0.00 64.86 64.54 3hbl h ILE 102 Cb 0.68 1.48 -0.03 0.00 -0.74 0.00 0.00 36.82 38.21 3hbl h ILE 102 CO 0.00 0.43 0.29 0.40 0.00 0.00 0.00 178.15 179.27 3hbl h ILE 103 N 0.45 1.04 -0.90 -0.67 1.08 -1.34 -2.24 117.51 114.93 3hbl h ILE 103 Ca 0.06 -0.20 0.15 0.00 -0.39 0.00 0.00 64.86 64.48 3hbl h ILE 103 Cb 0.76 0.42 -0.09 0.00 -3.07 0.00 0.00 36.82 34.83 3hbl h ILE 103 CO 0.06 0.11 0.50 0.44 -0.69 0.00 0.00 178.15 178.56 3hbl h ASP 104 N 0.58 0.64 -0.26 1.72 3.32 -1.16 0.15 116.42 121.41 3hbl h ASP 104 Ca 0.20 0.09 -0.09 0.00 0.02 0.00 0.00 57.03 57.25 3hbl h ASP 104 Cb 0.03 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 3hbl h ASP 104 CO -0.09 0.27 -0.17 0.58 -1.72 0.00 0.00 179.24 178.11 3hbl h VAL 105 N 0.71 1.31 -0.70 -1.35 2.07 -1.21 -1.90 116.25 115.17 3hbl h VAL 105 Ca 0.49 -1.29 -0.01 0.00 0.82 0.00 0.00 66.70 66.70 3hbl h VAL 105 Cb 0.67 1.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.99 3hbl h VAL 105 CO -0.35 0.40 0.38 0.00 0.02 0.00 0.00 177.57 178.02 3hbl h ALA 106 N 0.71 0.89 0.48 1.67 0.00 -0.62 -1.18 119.26 121.22 3hbl h ALA 106 Ca 0.05 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3hbl h ALA 106 Cb 0.70 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3hbl h ALA 106 CO 0.05 0.41 -0.23 0.87 0.00 0.00 0.00 179.25 180.35 3hbl h LYS 107 N 0.96 -0.62 0.00 0.00 1.57 -0.73 0.07 116.57 117.83 3hbl h LYS 107 Ca 0.25 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 3hbl h LYS 107 Cb 0.05 0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.50 3hbl h LYS 107 CO -0.04 -0.38 0.01 0.37 -0.57 0.00 0.00 179.45 178.84 3hbl h GLN 108 N -0.70 0.00 -0.11 3.15 -0.00 -1.17 0.53 115.11 116.81 3hbl h GLN 108 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.58 3hbl h GLN 108 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.00 3hbl h GLN 108 CO 0.11 0.00 0.00 0.00 0.00 0.00 0.00 178.83 178.94 3hbl n ALA 109 N -2.01 2.45 -3.26 3.38 0.00 -0.46 -5.01 120.51 115.60 3hbl n ALA 109 Ca -0.03 -0.75 -0.15 0.00 0.00 0.00 0.00 53.44 52.52 3hbl n ALA 109 Cb 0.07 -0.72 0.07 0.00 0.00 0.00 0.00 19.45 18.87 3hbl n ALA 109 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3hbl n ASN 110 N 1.21 -6.57 -4.78 0.00 3.02 0.18 -5.00 115.26 103.31 3hbl n ASN 110 Ca 0.13 -0.71 -0.37 0.00 -0.03 0.00 0.00 54.58 53.61 3hbl n ASN 110 Cb 0.53 -5.21 -0.07 0.00 -0.61 0.00 0.00 39.78 34.43 3hbl n ASN 110 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3hbl s VAL 111 N -3.39 5.28 0.01 2.41 1.01 -0.07 -4.66 120.40 120.99 3hbl s VAL 111 Ca 0.45 0.54 0.02 0.00 0.00 0.00 0.00 61.98 63.00 3hbl s VAL 111 Cb -0.06 -3.60 -0.25 0.00 0.00 0.00 0.00 36.38 32.46 3hbl s VAL 111 CO 0.74 0.47 0.86 0.44 0.00 0.00 0.00 175.10 177.61 3hbl h ASP 112 N 5.95 0.24 -3.80 3.32 5.19 -1.57 -3.45 116.42 122.30 3hbl h ASP 112 Ca -0.46 -0.35 -0.14 0.00 -0.62 0.00 0.00 57.03 55.46 3hbl h ASP 112 Cb 1.19 -0.08 -0.25 0.00 0.18 0.00 0.00 39.33 40.37 3hbl h ASP 112 CO 0.69 1.30 -0.30 0.00 -3.12 0.00 0.00 179.24 177.81 3hbl s ALA 113 N -2.62 -0.89 -0.16 3.45 0.00 -1.17 0.32 121.76 120.69 3hbl s ALA 113 Ca -0.07 1.05 -0.02 0.00 0.00 0.00 0.00 51.96 52.92 3hbl s ALA 113 Cb 0.08 -0.62 -0.02 0.00 0.00 0.00 0.00 23.12 22.56 3hbl s ALA 113 CO 0.84 -0.18 -0.08 0.42 0.00 0.00 0.00 175.76 176.76 3hbl s ILE 114 N 0.32 3.36 -0.37 0.00 1.01 -0.97 -0.65 121.20 123.91 3hbl s ILE 114 Ca -0.01 -0.53 -0.13 0.00 0.00 0.00 0.00 60.65 59.97 3hbl s ILE 114 Cb -0.03 -2.46 -0.00 0.00 0.01 0.00 0.00 42.46 39.97 3hbl s ILE 114 CO -0.01 0.49 0.26 -2.28 0.00 0.00 0.00 174.94 173.40 3hbl s HIS 115 N 0.66 3.23 -1.42 3.97 2.46 0.21 -1.42 115.29 122.97 3hbl s HIS 115 Ca -0.04 -0.38 0.29 0.00 0.47 0.00 0.00 55.06 55.40 3hbl s HIS 115 Cb -0.15 -2.51 1.37 0.00 -0.13 0.00 0.00 32.58 31.16 3hbl s HIS 115 CO 0.02 -0.46 1.96 -0.35 -2.47 0.00 0.00 174.74 173.45 3hbl n PRO 116 N 5.12 0.43 0.00 2.88 -0.04 -1.26 -1.82 135.00 140.31 3hbl n PRO 116 Ca -0.12 -0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 3hbl n PRO 116 Cb 0.49 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 3hbl n PRO 116 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3hbl n GLY 117 N 1.32 2.33 3.29 0.55 0.00 -1.26 -4.24 105.19 107.17 3hbl n GLY 117 Ca 0.13 -0.43 -0.20 0.00 0.00 0.00 0.00 46.02 45.52 3hbl n GLY 117 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3hbl s TYR 118 N 0.00 1.65 -1.35 1.61 -0.85 -1.26 -4.31 117.35 112.84 3hbl s TYR 118 Ca 0.00 -0.51 0.00 0.00 -0.52 0.00 0.00 57.07 56.04 3hbl s TYR 118 Cb 0.00 -0.84 0.00 0.00 0.38 0.00 0.00 41.96 41.50 3hbl s TYR 118 CO 0.00 0.25 0.00 0.41 -1.52 0.00 0.00 175.55 174.69 3hbl n GLY 119 N 0.41 1.09 0.00 5.49 0.00 -1.26 -4.84 105.19 106.08 3hbl n GLY 119 Ca -0.14 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.48 3hbl n GLY 119 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3hbl n PHE 120 N -2.89 0.00 0.25 1.61 3.72 -1.26 -4.94 117.46 113.95 3hbl n PHE 120 Ca -0.14 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.30 3hbl n PHE 120 Cb 0.47 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 39.05 3hbl n PHE 120 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3hbl n LEU 121 N -0.99 1.80 -0.37 4.37 4.77 -1.26 -4.71 117.00 120.61 3hbl n LEU 121 Ca 0.00 -1.16 0.29 0.00 -0.03 0.00 0.00 56.01 55.11 3hbl n LEU 121 Cb 0.00 -0.03 0.55 0.00 -2.33 0.00 0.00 43.42 41.62 3hbl n LEU 121 CO 0.00 0.38 1.16 0.28 -1.33 0.00 0.00 177.39 177.89 3hbl h SER 122 N 1.50 0.39 -0.01 -1.43 0.02 -1.84 -0.78 113.55 111.40 3hbl h SER 122 Ca 0.00 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 3hbl h SER 122 Cb 0.38 0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.05 3hbl h SER 122 CO 0.00 -0.16 -0.11 -0.62 -1.14 0.00 0.00 176.83 174.80 3hbl n GLU 123 N -4.90 1.67 -2.35 3.45 1.02 -1.26 -4.81 120.64 113.45 3hbl n GLU 123 Ca 0.34 -0.64 -0.43 0.00 -0.02 0.00 0.00 57.16 56.40 3hbl n GLU 123 Cb 1.16 -1.05 -0.02 0.00 -0.02 0.00 0.00 31.44 31.51 3hbl n GLU 123 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3hbl s ASN 124 N -1.01 6.57 0.09 1.62 3.84 -0.30 -4.91 114.94 120.84 3hbl s ASN 124 Ca 0.07 1.24 -0.23 0.00 0.21 0.00 0.00 52.86 54.15 3hbl s ASN 124 Cb 0.06 -2.54 -0.15 0.00 -0.55 0.00 0.00 41.25 38.08 3hbl s ASN 124 CO 0.17 -1.16 1.74 -0.33 -2.79 0.00 0.00 177.10 174.73 3hbl h GLU 125 N 9.75 -0.00 -1.02 0.43 3.07 -1.88 -2.97 114.58 121.95 3hbl h GLU 125 Ca -0.28 0.00 0.25 0.00 -0.50 0.00 0.00 59.36 58.83 3hbl h GLU 125 Cb 1.11 0.00 -0.11 0.00 -0.84 0.00 0.00 28.75 28.91 3hbl h GLU 125 CO 1.03 -0.00 0.63 1.96 -1.40 0.00 0.00 179.01 181.23 3hbl h GLN 126 N -0.00 0.52 -0.11 2.33 1.08 -1.97 -0.95 115.11 116.00 3hbl h GLN 126 Ca 0.00 -0.03 -0.13 0.00 -1.45 0.00 0.00 58.65 57.04 3hbl h GLN 126 Cb 0.01 -0.12 0.01 0.00 -0.05 0.00 0.00 27.48 27.32 3hbl h GLN 126 CO -0.00 0.34 -0.45 0.35 -0.95 0.00 0.00 178.83 178.11 3hbl h PHE 127 N 0.53 0.67 0.00 2.96 3.57 -1.88 -2.59 116.94 120.21 3hbl h PHE 127 Ca 0.62 -0.29 -0.01 0.00 3.53 0.00 0.00 57.97 61.82 3hbl h PHE 127 Cb 1.29 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.92 3hbl h PHE 127 CO -0.00 1.05 -0.04 0.00 -2.23 0.00 0.00 178.31 177.09 3hbl h ALA 128 N 0.49 1.03 0.13 2.41 0.00 -1.17 -1.60 119.26 120.54 3hbl h ALA 128 Ca -0.02 -0.03 -0.24 0.00 0.00 0.00 0.00 54.91 54.61 3hbl h ALA 128 Cb 1.09 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.90 3hbl h ALA 128 CO 0.10 0.05 -1.03 -0.09 0.00 0.00 0.00 179.25 178.27 3hbl h ARG 129 N 0.00 0.47 -0.26 0.00 2.43 -1.18 -3.18 114.38 112.66 3hbl h ARG 129 Ca -0.00 -0.68 -0.15 0.00 -0.81 0.00 0.00 59.98 58.34 3hbl h ARG 129 Cb 0.46 0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 30.23 3hbl h ARG 129 CO 0.00 1.30 -0.46 0.00 -1.51 0.00 0.00 179.97 179.31 3hbl h ARG 130 N -0.03 0.66 0.24 0.20 2.47 -1.14 -1.68 114.38 115.11 3hbl h ARG 130 Ca -0.17 -0.37 0.01 0.00 -1.26 0.00 0.00 59.98 58.19 3hbl h ARG 130 Cb 1.77 0.02 -0.04 0.00 -1.65 0.00 0.00 29.97 30.07 3hbl h ARG 130 CO 0.20 0.98 -0.43 0.00 0.56 0.00 0.00 179.97 181.28 3hbl h ALA 132 N -0.35 1.74 0.00 0.00 0.00 -1.44 0.13 119.26 119.34 3hbl h ALA 132 Ca -0.01 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3hbl h ALA 132 Cb 0.72 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 3hbl h ALA 132 CO -0.17 0.04 -0.07 0.93 0.00 0.00 0.00 179.25 179.97 3hbl h GLU 133 N 0.77 0.00 -0.31 0.00 5.08 -0.40 -2.10 114.58 117.63 3hbl h GLU 133 Ca 0.44 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.75 3hbl h GLU 133 Cb 0.59 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 3hbl h GLU 133 CO -0.20 0.07 0.01 0.39 -1.00 0.00 0.00 179.01 178.28 3hbl n GLU 134 N -3.36 2.76 -1.08 2.33 -0.58 -0.58 -4.95 120.64 115.18 3hbl n GLU 134 Ca -0.01 -2.92 -0.03 0.00 -0.42 0.00 0.00 57.16 53.78 3hbl n GLU 134 Cb 0.24 -1.87 -0.01 0.00 -0.57 0.00 0.00 31.44 29.23 3hbl n GLU 134 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hbl n GLY 135 N -0.61 0.56 3.66 0.62 0.00 -0.79 -5.01 105.19 103.62 3hbl n GLY 135 Ca 0.25 -0.28 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 3hbl n GLY 135 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hbl s ILE 136 N -1.89 5.19 -0.46 -0.61 1.01 0.34 -4.92 121.20 119.85 3hbl s ILE 136 Ca 0.00 0.68 -0.28 0.00 0.00 0.00 0.00 60.65 61.05 3hbl s ILE 136 Cb 0.00 -3.72 -0.00 0.00 0.01 0.00 0.00 42.46 38.74 3hbl s ILE 136 CO 0.00 0.23 1.59 -0.75 0.00 0.00 0.00 174.94 176.00 3hbl s LYS 137 N 1.50 3.28 0.04 2.79 2.47 0.15 -2.71 119.74 127.27 3hbl s LYS 137 Ca 0.18 0.88 -0.30 0.00 -1.56 0.00 0.00 55.97 55.16 3hbl s LYS 137 Cb -0.15 -4.16 -0.07 0.00 -1.46 0.00 0.00 37.83 32.00 3hbl s LYS 137 CO 0.08 -1.93 1.46 0.12 0.16 0.00 0.00 175.35 175.24 3hbl s PHE 138 N 6.57 2.82 -0.75 4.03 2.19 -1.26 -2.29 117.98 129.28 3hbl s PHE 138 Ca 0.65 0.72 -0.22 0.00 0.33 0.00 0.00 56.93 58.41 3hbl s PHE 138 Cb -0.15 -3.74 0.08 0.00 -1.31 0.00 0.00 43.02 37.90 3hbl s PHE 138 CO 0.29 -2.80 1.04 0.42 1.83 0.00 0.00 175.22 176.00 3hbl s ILE 139 N 2.22 4.40 -1.74 3.12 1.01 -0.51 -4.86 121.20 124.84 3hbl s ILE 139 Ca 0.66 -0.70 0.00 0.00 0.00 0.00 0.00 60.65 60.62 3hbl s ILE 139 Cb -0.35 -4.74 0.00 0.00 0.01 0.00 0.00 42.46 37.39 3hbl s ILE 139 CO 0.29 -1.51 0.00 0.61 0.00 0.00 0.00 174.94 174.33 3hbl n GLY 140 N 5.46 -0.78 3.78 6.18 0.00 -1.26 -4.54 105.19 114.03 3hbl n GLY 140 Ca 0.06 -0.83 -0.30 0.00 0.00 0.00 0.00 46.02 44.95 3hbl n GLY 140 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hbl s PRO 141 N -0.70 -0.39 0.70 1.61 0.04 -1.22 -4.64 135.00 130.40 3hbl s PRO 141 Ca 0.00 -0.35 -0.11 0.00 0.04 0.00 0.00 61.00 60.58 3hbl s PRO 141 Cb 0.00 -1.72 0.01 0.00 0.04 0.00 0.00 34.50 32.83 3hbl s PRO 141 CO 0.00 -3.11 1.06 -1.01 0.04 0.00 0.00 177.00 173.98 3hbl s HIS 142 N -3.54 3.21 0.25 0.56 3.76 -1.26 -4.88 115.29 113.38 3hbl s HIS 142 Ca 0.74 1.30 -0.06 0.00 -0.15 0.00 0.00 55.06 56.89 3hbl s HIS 142 Cb -0.05 -2.90 0.45 0.00 1.11 0.00 0.00 32.58 31.18 3hbl s HIS 142 CO 0.55 -1.19 1.64 -0.07 -0.85 0.00 0.00 174.74 174.82 3hbl h LEU 143 N -0.68 -0.28 -1.48 0.89 4.07 -1.96 0.15 115.31 116.02 3hbl h LEU 143 Ca -0.44 0.19 0.06 0.00 0.08 0.00 0.00 57.88 57.76 3hbl h LEU 143 Cb 1.22 0.32 -0.04 0.00 1.08 0.00 0.00 40.66 43.24 3hbl h LEU 143 CO 0.59 -0.16 0.43 1.05 -1.08 0.00 0.00 178.44 179.27 3hbl h GLU 144 N 0.13 0.62 -0.02 1.13 9.09 -1.98 -0.16 114.58 123.38 3hbl h GLU 144 Ca 0.41 -0.04 -0.09 0.00 0.05 0.00 0.00 59.36 59.70 3hbl h GLU 144 Cb 0.73 -0.14 -0.01 0.00 -1.65 0.00 0.00 28.75 27.68 3hbl h GLU 144 CO -0.64 0.41 -0.42 0.45 0.05 0.00 0.00 179.01 178.87 3hbl h HIS 145 N 0.64 0.05 0.00 2.06 3.86 -1.07 0.31 115.15 121.00 3hbl h HIS 145 Ca 0.28 -0.01 -0.18 0.00 -1.16 0.00 0.00 60.37 59.29 3hbl h HIS 145 Cb 0.28 -0.01 -0.03 0.00 1.06 0.00 0.00 27.41 28.71 3hbl h HIS 145 CO -0.00 0.45 -0.93 -0.07 0.86 0.00 0.00 177.93 178.25 3hbl h LEU 146 N 0.04 0.00 0.27 2.43 3.38 -0.95 -2.53 115.31 117.94 3hbl h LEU 146 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3hbl h LEU 146 Cb 0.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.51 3hbl h LEU 146 CO 0.06 0.81 -0.13 -0.78 0.09 0.00 0.00 178.44 178.49 3hbl h ASP 147 N 0.00 -0.30 -0.65 -0.43 -0.00 -0.81 -1.42 116.42 112.81 3hbl h ASP 147 Ca -0.04 0.01 0.07 0.00 -0.00 0.00 0.00 57.03 57.07 3hbl h ASP 147 Cb 1.65 0.08 -0.09 0.00 -0.00 0.00 0.00 39.33 40.98 3hbl h ASP 147 CO 0.10 0.11 -0.34 0.80 -0.00 0.00 0.00 179.24 179.91 3hbl n MET 148 N -4.78 -0.24 -0.06 0.28 1.56 0.11 -2.87 117.12 111.11 3hbl n MET 148 Ca -0.04 0.98 0.10 0.00 -0.27 0.00 0.00 57.70 58.47 3hbl n MET 148 Cb 0.14 -1.45 0.12 0.00 2.15 0.00 0.00 33.22 34.18 3hbl n MET 148 CO 0.00 0.00 0.00 1.19 -0.73 0.00 0.00 175.97 176.43 3hbl n PHE 149 N -4.86 0.17 -0.02 1.12 0.99 -0.95 -2.44 117.46 111.46 3hbl n PHE 149 Ca 0.03 -0.10 -0.17 0.00 -0.00 0.00 0.00 57.45 57.21 3hbl n PHE 149 Cb 0.20 -0.00 -0.08 0.00 -1.00 0.00 0.00 39.48 38.60 3hbl n PHE 149 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 3hbl h GLY 150 N 3.92 0.78 -6.58 1.37 0.00 -1.11 -3.44 103.07 98.02 3hbl h GLY 150 Ca 0.00 -1.13 -0.61 0.00 0.00 0.00 0.00 47.33 45.59 3hbl h GLY 150 CO 0.00 1.01 -0.18 -0.35 0.00 0.00 0.00 176.54 177.01 3hbl s ASP 151 N -7.00 6.41 0.54 0.19 -1.08 -1.25 -4.76 116.67 109.72 3hbl s ASP 151 Ca -0.11 0.48 0.31 0.00 -0.52 0.00 0.00 52.55 52.71 3hbl s ASP 151 Cb 0.07 -2.23 1.50 0.00 -1.46 0.00 0.00 42.92 40.80 3hbl s ASP 151 CO 0.88 -0.12 2.06 0.11 0.52 0.00 0.00 175.17 178.63 3hbl h LYS 152 N 7.57 0.00 0.00 4.34 1.57 -1.89 0.11 116.57 128.27 3hbl h LYS 152 Ca -0.35 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.43 3hbl h LYS 152 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.47 3hbl h LYS 152 CO 0.70 0.09 -0.00 0.28 -0.57 0.00 0.00 179.45 179.95 3hbl h VAL 153 N 0.00 1.65 -0.95 0.50 2.07 -1.93 -2.41 116.25 115.18 3hbl h VAL 153 Ca -0.00 -1.93 0.14 0.00 0.82 0.00 0.00 66.70 65.73 3hbl h VAL 153 Cb 0.39 2.96 -0.08 0.00 -1.52 0.00 0.00 31.29 33.03 3hbl h VAL 153 CO 0.01 0.50 0.60 0.11 0.02 0.00 0.00 177.57 178.81 3hbl h LYS 154 N -0.83 0.79 -0.24 1.57 1.79 -1.67 0.13 116.57 118.11 3hbl h LYS 154 Ca -0.00 -0.05 -0.12 0.00 -2.18 0.00 0.00 60.65 58.30 3hbl h LYS 154 Cb 0.82 -0.18 -0.00 0.00 -1.58 0.00 0.00 32.23 31.29 3hbl h LYS 154 CO 0.00 0.52 -0.33 0.00 -1.08 0.00 0.00 179.45 178.56 3hbl h ALA 155 N 1.58 0.36 -0.02 3.86 0.00 -0.45 -1.10 119.26 123.49 3hbl h ALA 155 Ca 0.48 -0.42 0.01 0.00 0.00 0.00 0.00 54.91 54.99 3hbl h ALA 155 Cb 0.66 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3hbl h ALA 155 CO -0.25 0.41 -0.06 0.00 0.00 0.00 0.00 179.25 179.35 3hbl h ARG 156 N 0.36 -0.10 -0.47 0.00 2.47 -0.80 0.12 114.38 115.96 3hbl h ARG 156 Ca 0.03 0.01 0.09 0.00 -1.26 0.00 0.00 59.98 58.84 3hbl h ARG 156 Cb 0.91 0.02 -0.08 0.00 -1.65 0.00 0.00 29.97 29.18 3hbl h ARG 156 CO 0.08 -0.06 0.01 1.15 0.56 0.00 0.00 179.97 181.70 3hbl h THR 157 N -0.10 0.64 -0.78 2.04 2.02 -0.75 -0.68 112.91 115.30 3hbl h THR 157 Ca 0.03 -0.04 0.04 0.00 0.77 0.00 0.00 66.41 67.21 3hbl h THR 157 Cb 0.14 0.51 -0.05 0.00 -1.74 0.00 0.00 68.15 67.02 3hbl h THR 157 CO -0.08 0.02 0.51 0.74 0.37 0.00 0.00 175.52 177.09 3hbl h THR 158 N 0.12 1.10 0.13 3.16 2.02 -0.69 -0.21 112.91 118.55 3hbl h THR 158 Ca 0.24 -0.32 -0.01 0.00 0.77 0.00 0.00 66.41 67.09 3hbl h THR 158 Cb 0.35 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.85 3hbl h THR 158 CO -0.39 0.17 -0.06 0.00 0.37 0.00 0.00 175.52 175.61 3hbl h ALA 159 N 1.55 -0.18 -0.83 6.16 0.00 0.50 -1.58 119.26 124.88 3hbl h ALA 159 Ca 0.32 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 55.04 3hbl h ALA 159 Cb 0.08 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 3hbl h ALA 159 CO -0.10 -0.35 0.55 0.82 0.00 0.00 0.00 179.25 180.17 3hbl h ILE 160 N -0.67 1.13 -0.60 0.00 2.04 -1.06 0.12 117.51 118.46 3hbl h ILE 160 Ca -0.02 -0.35 -0.03 0.00 1.00 0.00 0.00 64.86 65.47 3hbl h ILE 160 Cb 0.50 0.02 -0.03 0.00 -0.74 0.00 0.00 36.82 36.57 3hbl h ILE 160 CO 0.03 0.19 0.27 0.50 0.00 0.00 0.00 178.15 179.13 3hbl h LYS 161 N 1.02 0.85 -0.13 2.37 1.63 -0.99 0.93 116.57 122.26 3hbl h LYS 161 Ca 0.33 -0.12 0.00 0.00 -0.85 0.00 0.00 60.65 60.02 3hbl h LYS 161 Cb 0.05 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 31.52 3hbl h LYS 161 CO -0.10 0.67 0.00 0.00 -3.45 0.00 0.00 179.45 176.57 3hbl n ALA 162 N -2.45 2.52 -3.49 5.00 0.00 -0.48 -4.92 120.51 116.68 3hbl n ALA 162 Ca 0.05 -0.30 -0.18 0.00 0.00 0.00 0.00 53.44 53.00 3hbl n ALA 162 Cb 0.14 -1.08 0.07 0.00 0.00 0.00 0.00 19.45 18.58 3hbl n ALA 162 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3hbl n ASP 163 N -0.12 -2.37 -4.83 0.00 2.03 0.32 -4.76 116.55 106.81 3hbl n ASP 163 Ca 0.10 -0.70 -0.35 0.00 0.52 0.00 0.00 54.79 54.36 3hbl n ASP 163 Cb 0.17 -4.79 -0.07 0.00 -0.72 0.00 0.00 41.12 35.71 3hbl n ASP 163 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3hbl s LEU 164 N -6.35 4.17 0.35 -2.67 1.43 0.29 -4.98 118.68 110.92 3hbl s LEU 164 Ca 0.06 0.34 -0.29 0.00 -1.03 0.00 0.00 54.13 53.22 3hbl s LEU 164 Cb -0.01 -2.14 -0.11 0.00 0.03 0.00 0.00 46.19 43.95 3hbl s LEU 164 CO 0.76 0.36 1.54 -0.81 0.23 0.00 0.00 176.35 178.43 3hbl n PRO 165 N 1.72 2.72 -4.35 1.29 -0.04 -1.26 -4.22 135.00 130.86 3hbl n PRO 165 Ca -0.17 0.96 -0.20 0.00 -0.04 0.00 0.00 63.50 64.05 3hbl n PRO 165 Cb 0.54 -2.72 -0.13 0.00 -0.04 0.00 0.00 33.50 31.15 3hbl n PRO 165 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3hbl s VAL 166 N -0.70 1.09 -0.18 0.52 1.01 -1.26 -1.00 120.40 119.89 3hbl s VAL 166 Ca 0.57 -0.99 -0.29 0.00 0.00 0.00 0.00 61.98 61.27 3hbl s VAL 166 Cb -0.48 -0.99 -0.05 0.00 0.00 0.00 0.00 36.38 34.87 3hbl s VAL 166 CO 0.58 0.00 1.89 -0.63 0.00 0.00 0.00 175.10 176.94 3hbl s ILE 167 N -0.85 3.33 0.10 2.22 1.09 -1.26 -4.90 121.20 120.92 3hbl s ILE 167 Ca 0.01 0.36 -0.34 0.00 -1.10 0.00 0.00 60.65 59.59 3hbl s ILE 167 Cb -0.08 -3.35 -0.13 0.00 -1.06 0.00 0.00 42.46 37.85 3hbl s ILE 167 CO 0.01 -0.16 1.69 -2.65 -0.10 0.00 0.00 174.94 173.73 3hbl n PRO 168 N 8.05 2.26 -3.78 2.79 -0.02 -1.26 -4.84 135.00 138.19 3hbl n PRO 168 Ca 0.23 0.82 0.01 0.00 -2.02 0.00 0.00 63.50 62.54 3hbl n PRO 168 Cb 0.44 -2.63 0.01 0.00 -0.02 0.00 0.00 33.50 31.31 3hbl n PRO 168 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hbl n GLY 169 N 3.78 0.37 3.68 -1.23 0.00 -1.26 -2.00 105.19 108.52 3hbl n GLY 169 Ca 0.18 -1.06 -0.44 0.00 0.00 0.00 0.00 46.02 44.70 3hbl n GLY 169 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3hbl n THR 170 N -0.80 0.53 -0.33 2.61 -1.04 -1.16 -4.86 114.28 109.23 3hbl n THR 170 Ca 0.02 -0.09 0.32 0.00 -2.04 0.00 0.00 64.05 62.26 3hbl n THR 170 Cb 0.54 -2.08 0.68 0.00 -1.82 0.00 0.00 70.33 67.65 3hbl n THR 170 CO 0.00 0.00 0.00 -2.24 -0.64 0.00 0.00 175.07 172.19 3hbl h ASP 171 N 9.20 0.13 -0.42 8.00 2.03 -2.00 -3.43 116.42 129.93 3hbl h ASP 171 Ca -0.48 0.03 0.00 0.00 -0.73 0.00 0.00 57.03 55.85 3hbl h ASP 171 Cb 1.24 0.01 0.00 0.00 -0.83 0.00 0.00 39.33 39.75 3hbl h ASP 171 CO 0.94 0.02 0.00 0.61 -1.03 0.00 0.00 179.24 179.78 3hbl n GLY 172 N -1.68 5.46 3.89 7.15 0.00 -1.26 -4.94 105.19 113.81 3hbl n GLY 172 Ca 0.26 -1.56 -0.30 0.00 0.00 0.00 0.00 46.02 44.43 3hbl n GLY 172 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hbl s PRO 173 N 0.63 3.71 0.53 1.61 0.04 -1.26 -4.89 135.00 135.36 3hbl s PRO 173 Ca 0.00 0.20 0.05 0.00 0.04 0.00 0.00 61.00 61.29 3hbl s PRO 173 Cb 0.00 -2.56 0.02 0.00 0.04 0.00 0.00 34.50 32.01 3hbl s PRO 173 CO 0.00 0.14 0.34 0.96 0.04 0.00 0.00 177.00 178.48 3hbl s ILE 174 N -2.14 1.68 0.00 0.56 -4.36 -0.94 -5.04 121.20 110.96 3hbl s ILE 174 Ca 0.47 -1.56 0.00 0.00 -0.26 0.00 0.00 60.65 59.29 3hbl s ILE 174 Cb -0.11 -2.24 0.00 0.00 1.25 0.00 0.00 42.46 41.36 3hbl s ILE 174 CO 0.29 0.00 0.00 0.29 0.24 0.00 0.00 174.94 175.76 3hbl n LYS 175 N -1.66 0.00 -4.64 0.37 4.76 -1.26 -4.19 118.16 111.54 3hbl n LYS 175 Ca -0.04 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.12 3hbl n LYS 175 Cb 0.65 0.00 -0.09 0.00 -1.84 0.00 0.00 35.03 33.74 3hbl n LYS 175 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3hbl s SER 176 N 1.00 3.66 0.69 4.39 1.04 -1.26 -4.93 113.70 118.29 3hbl s SER 176 Ca 0.00 -1.51 0.00 0.00 0.48 0.00 0.00 55.95 54.92 3hbl s SER 176 Cb 0.00 0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.21 3hbl s SER 176 CO 0.00 -0.67 0.00 -1.22 0.98 0.00 0.00 173.24 172.33 3hbl n TYR 177 N -1.04 -0.12 -1.32 5.02 4.01 -1.26 -2.74 117.16 119.71 3hbl n TYR 177 Ca -0.10 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.25 3hbl n TYR 177 Cb 0.67 0.08 -0.03 0.00 -0.31 0.00 0.00 39.34 39.75 3hbl n TYR 177 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3hbl n GLU 178 N 0.00 2.37 0.00 -0.72 1.02 -1.26 -4.64 120.64 117.41 3hbl n GLU 178 Ca 0.00 -2.11 0.01 0.00 -0.02 0.00 0.00 57.16 55.04 3hbl n GLU 178 Cb 0.00 -2.97 0.03 0.00 -0.02 0.00 0.00 31.44 28.49 3hbl n GLU 178 CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78 3hbl n LEU 179 N 5.98 0.00 0.07 -4.62 -0.00 -1.11 -1.75 117.00 115.57 3hbl n LEU 179 Ca 0.54 0.48 -0.19 0.00 -0.00 0.00 0.00 56.01 56.84 3hbl n LEU 179 Cb 0.34 -0.48 -0.10 0.00 -0.00 0.00 0.00 43.42 43.18 3hbl n LEU 179 CO 0.92 -0.45 0.06 0.00 -0.00 0.00 0.00 177.39 177.91 3hbl h ALA 180 N 2.05 0.16 -0.67 1.47 0.00 -1.89 -3.31 119.26 117.08 3hbl h ALA 180 Ca 0.00 -0.73 0.19 0.00 0.00 0.00 0.00 54.91 54.37 3hbl h ALA 180 Cb 0.02 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3hbl h ALA 180 CO 0.00 0.74 0.59 0.87 0.00 0.00 0.00 179.25 181.45 3hbl h LYS 181 N 0.30 0.00 -0.83 0.00 1.79 -1.74 0.57 116.57 116.65 3hbl h LYS 181 Ca -0.13 0.00 -0.25 0.00 -2.18 0.00 0.00 60.65 58.09 3hbl h LYS 181 Cb 1.74 0.00 -0.15 0.00 -1.58 0.00 0.00 32.23 32.24 3hbl h LYS 181 CO 0.20 0.00 0.32 -0.85 -1.08 0.00 0.00 179.45 178.04 3hbl n GLU 182 N -3.92 3.17 0.00 3.15 0.00 -1.24 -4.49 120.64 117.31 3hbl n GLU 182 Ca 0.13 -2.72 0.00 0.00 0.00 0.00 0.00 57.16 54.57 3hbl n GLU 182 Cb 0.83 -2.11 0.00 0.00 0.00 0.00 0.00 31.44 30.17 3hbl n GLU 182 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 3hbl n PHE 183 N -0.27 -0.17 -0.14 -1.84 7.35 0.15 -4.97 117.46 117.57 3hbl n PHE 183 Ca 0.40 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 57.05 3hbl n PHE 183 Cb 1.34 0.06 0.03 0.00 0.35 0.00 0.00 39.48 41.26 3hbl n PHE 183 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3hbl h ALA 184 N 0.00 0.31 -0.29 3.13 0.00 -0.45 -0.86 119.26 121.10 3hbl h ALA 184 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3hbl h ALA 184 Cb 0.00 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3hbl h ALA 184 CO 0.00 -0.44 0.00 0.39 0.00 0.00 0.00 179.25 179.20 3hbl n GLU 185 N -5.31 1.68 -0.06 0.00 4.71 -1.26 -3.19 120.64 117.21 3hbl n GLU 185 Ca 0.03 -1.03 0.04 0.00 -0.01 0.00 0.00 57.16 56.19 3hbl n GLU 185 Cb 0.24 -1.24 0.06 0.00 -1.01 0.00 0.00 31.44 29.49 3hbl n GLU 185 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 3hbl n GLU 186 N 0.33 1.88 0.00 3.49 4.71 -0.35 -4.90 120.64 125.80 3hbl n GLU 186 Ca 0.10 -1.82 0.00 0.00 -0.01 0.00 0.00 57.16 55.43 3hbl n GLU 186 Cb 0.25 -1.13 0.00 0.00 -1.01 0.00 0.00 31.44 29.55 3hbl n GLU 186 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3hbl n ALA 187 N -0.80 2.69 0.00 0.62 0.00 -1.07 -5.03 120.51 116.92 3hbl n ALA 187 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3hbl n ALA 187 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 3hbl n ALA 187 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hbl n GLY 188 N 1.75 -1.48 0.11 0.00 0.00 -1.23 -5.09 105.19 99.25 3hbl n GLY 188 Ca 0.00 -1.02 -0.06 0.00 0.00 0.00 0.00 46.02 44.93 3hbl n GLY 188 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3hbl h PHE 189 N 0.00 -0.14 -3.37 1.61 3.57 -1.96 -3.44 116.94 113.21 3hbl h PHE 189 Ca 0.00 -0.00 -0.58 0.00 3.53 0.00 0.00 57.97 60.92 3hbl h PHE 189 Cb 0.00 0.05 -0.08 0.00 2.79 0.00 0.00 35.95 38.71 3hbl h PHE 189 CO 0.00 0.16 -0.06 -1.25 -2.23 0.00 0.00 178.31 174.94 3hbl s PRO 190 N -2.43 4.32 0.36 6.41 0.04 -1.26 -4.73 135.00 137.72 3hbl s PRO 190 Ca -0.08 0.53 0.03 0.00 0.04 0.00 0.00 61.00 61.53 3hbl s PRO 190 Cb -0.00 -3.48 -0.04 0.00 0.04 0.00 0.00 34.50 31.02 3hbl s PRO 190 CO 0.27 0.05 0.09 -0.51 0.04 0.00 0.00 177.00 176.94 3hbl s LEU 191 N 0.97 2.04 -0.18 -3.56 1.43 -0.70 -1.69 118.68 116.99 3hbl s LEU 191 Ca 0.28 -1.53 -0.08 0.00 -1.03 0.00 0.00 54.13 51.77 3hbl s LEU 191 Cb -0.16 -0.22 0.07 0.00 0.03 0.00 0.00 46.19 45.91 3hbl s LEU 191 CO 0.11 -0.78 0.41 -0.32 0.23 0.00 0.00 176.35 176.00 3hbl s MET 192 N -3.82 0.35 -0.10 1.70 -2.45 0.16 -1.17 119.30 113.97 3hbl s MET 192 Ca 0.30 0.89 -0.27 0.00 -1.25 0.00 0.00 55.69 55.36 3hbl s MET 192 Cb 0.05 0.13 -0.02 0.00 1.25 0.00 0.00 34.83 36.24 3hbl s MET 192 CO 0.15 -0.21 0.87 -1.50 1.05 0.00 0.00 175.02 175.38 3hbl s ILE 193 N 1.99 4.89 -0.00 10.11 1.10 -1.25 -1.14 121.20 136.90 3hbl s ILE 193 Ca -0.05 1.77 0.02 0.00 -0.51 0.00 0.00 60.65 61.88 3hbl s ILE 193 Cb -0.10 -4.19 -0.01 0.00 0.15 0.00 0.00 42.46 38.31 3hbl s ILE 193 CO -0.13 0.10 -0.06 -0.54 -2.11 0.00 0.00 174.94 172.20 3hbl s LYS 194 N 1.56 0.52 0.00 3.50 1.02 -1.03 -4.60 119.74 120.70 3hbl s LYS 194 Ca 0.43 -0.24 0.00 0.00 0.02 0.00 0.00 55.97 56.19 3hbl s LYS 194 Cb -0.18 -0.50 0.00 0.00 -0.52 0.00 0.00 37.83 36.63 3hbl s LYS 194 CO 0.18 0.14 0.00 0.00 -0.92 0.00 0.00 175.35 174.75 3hbl n ALA 195 N 2.90 0.00 -3.15 5.17 0.00 -1.26 -1.72 120.51 122.44 3hbl n ALA 195 Ca -0.13 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.33 3hbl n ALA 195 Cb 0.58 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.02 3hbl n ALA 195 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3hbl s THR 196 N 0.12 -0.89 -0.15 0.00 -1.32 -1.26 -4.16 115.64 107.98 3hbl s THR 196 Ca 0.00 0.00 -0.31 0.00 -1.21 0.00 0.00 61.69 60.17 3hbl s THR 196 Cb 0.00 -0.19 -0.09 0.00 -1.51 0.00 0.00 72.50 70.71 3hbl s THR 196 CO 0.00 0.00 2.08 -1.20 -2.21 0.00 0.00 174.62 173.29 3hbl n SER 197 N 4.55 3.32 -1.32 8.08 7.64 -1.26 -4.91 113.62 129.72 3hbl n SER 197 Ca 0.09 0.57 0.00 0.00 1.01 0.00 0.00 58.87 60.55 3hbl n SER 197 Cb 0.57 -1.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.31 3hbl n SER 197 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3hbl n ARG 205 N 7.90 0.00 -2.54 1.43 5.12 -1.26 -5.03 116.66 122.27 3hbl n ARG 205 Ca 0.28 0.44 -0.42 0.00 -1.93 0.00 0.00 57.85 56.22 3hbl n ARG 205 Cb 0.37 -0.88 -0.03 0.00 -1.16 0.00 0.00 32.46 30.76 3hbl n ARG 205 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3hbl s ILE 206 N 0.00 4.40 -0.45 0.55 1.01 -1.26 -3.85 121.20 121.59 3hbl s ILE 206 Ca 0.00 1.72 -0.15 0.00 0.00 0.00 0.00 60.65 62.22 3hbl s ILE 206 Cb 0.00 -4.10 0.06 0.00 0.01 0.00 0.00 42.46 38.43 3hbl s ILE 206 CO 0.00 0.10 0.36 -0.69 0.00 0.00 0.00 174.94 174.71 3hbl s VAL 207 N 1.34 5.15 0.22 2.92 1.01 -0.32 -4.89 120.40 125.83 3hbl s VAL 207 Ca 0.55 -1.01 0.15 0.00 0.00 0.00 0.00 61.98 61.68 3hbl s VAL 207 Cb -0.25 -4.03 0.07 0.00 0.00 0.00 0.00 36.38 32.17 3hbl s VAL 207 CO 0.26 -0.51 1.69 0.03 0.00 0.00 0.00 175.10 176.57 3hbl h ARG 208 N 8.70 0.00 0.00 2.72 2.47 -1.85 -1.86 114.38 124.55 3hbl h ARG 208 Ca -0.28 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.44 3hbl h ARG 208 Cb 1.11 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.43 3hbl h ARG 208 CO 0.84 0.47 0.00 -1.91 0.56 0.00 0.00 179.97 179.93 3hbl n GLU 209 N -3.66 0.00 -2.23 0.04 2.13 -1.26 -4.85 120.64 110.80 3hbl n GLU 209 Ca -0.01 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.79 3hbl n GLU 209 Cb 0.55 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.24 3hbl n GLU 209 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 3hbl n GLU 210 N 0.00 -3.87 -2.21 5.31 0.00 -1.26 -4.79 120.64 113.82 3hbl n GLU 210 Ca 0.00 2.97 0.00 0.00 0.00 0.00 0.00 57.16 60.13 3hbl n GLU 210 Cb 0.00 -4.06 0.00 0.00 0.00 0.00 0.00 31.44 27.38 3hbl n GLU 210 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 3hbl n SER 211 N 1.40 -4.35 -1.68 -1.84 2.88 -1.26 -4.61 113.62 104.15 3hbl n SER 211 Ca -0.19 0.77 -0.01 0.00 -1.33 0.00 0.00 58.87 58.11 3hbl n SER 211 Cb 0.29 -1.22 -0.01 0.00 -0.75 0.00 0.00 64.21 62.53 3hbl n SER 211 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 3hbl n GLU 212 N 2.13 -0.76 0.04 -1.46 0.00 -1.26 -5.06 120.64 114.28 3hbl n GLU 212 Ca 0.00 0.99 0.00 0.00 0.00 0.00 0.00 57.16 58.15 3hbl n GLU 212 Cb 0.00 -1.67 0.00 0.00 0.00 0.00 0.00 31.44 29.77 3hbl n GLU 212 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 3hbl n LEU 213 N 0.28 -0.74 0.00 4.31 0.00 -1.26 -4.81 117.00 114.78 3hbl n LEU 213 Ca -0.07 0.25 0.00 0.00 0.00 0.00 0.00 56.01 56.19 3hbl n LEU 213 Cb 0.11 0.92 0.00 0.00 0.00 0.00 0.00 43.42 44.45 3hbl n LEU 213 CO 0.07 -0.09 0.30 1.21 0.00 0.00 0.00 177.39 178.87 3hbl n GLU 214 N -2.58 0.00 -0.08 1.96 0.00 -1.26 -2.45 120.64 116.23 3hbl n GLU 214 Ca 0.00 0.12 0.10 0.00 0.00 0.00 0.00 57.16 57.38 3hbl n GLU 214 Cb 0.00 -1.51 0.48 0.00 0.00 0.00 0.00 31.44 30.40 3hbl n GLU 214 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.13 177.35 3hbl h ASP 215 N 0.00 0.40 -0.58 4.31 3.58 -1.99 0.34 116.42 122.49 3hbl h ASP 215 Ca 0.00 0.01 -0.06 0.00 0.42 0.00 0.00 57.03 57.39 3hbl h ASP 215 Cb 0.03 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 40.98 3hbl h ASP 215 CO 0.00 0.25 0.11 0.00 -2.88 0.00 0.00 179.24 176.72 3hbl h ALA 216 N 1.70 0.76 0.00 -0.78 0.00 -1.90 -2.47 119.26 116.58 3hbl h ALA 216 Ca 0.26 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 3hbl h ALA 216 Cb 0.43 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3hbl h ALA 216 CO -0.07 0.50 -0.27 0.35 0.00 0.00 0.00 179.25 179.76 3hbl h PHE 217 N 0.85 0.00 -0.23 0.00 3.57 -1.21 -1.84 116.94 118.07 3hbl h PHE 217 Ca 0.18 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.74 3hbl h PHE 217 Cb 0.40 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 39.07 3hbl h PHE 217 CO 0.03 0.27 -0.25 1.25 -2.23 0.00 0.00 178.31 177.38 3hbl h HIS 218 N 0.00 -0.66 -0.21 0.41 2.76 0.07 -2.98 115.15 114.54 3hbl h HIS 218 Ca -0.00 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 3hbl h HIS 218 Cb 0.55 0.33 0.00 0.00 1.55 0.00 0.00 27.41 29.84 3hbl h HIS 218 CO 0.00 -0.32 0.00 2.89 -1.30 0.00 0.00 177.93 179.20 3hbl n ARG 219 N -5.38 2.63 -1.31 5.26 1.85 -1.23 -4.34 116.66 114.14 3hbl n ARG 219 Ca -0.01 -2.64 -0.30 0.00 -1.00 0.00 0.00 57.85 53.90 3hbl n ARG 219 Cb 0.29 -1.68 0.11 0.00 -1.05 0.00 0.00 32.46 30.14 3hbl n ARG 219 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3hbl n ALA 220 N -0.54 6.00 -0.08 2.89 0.00 -0.69 -4.04 120.51 124.05 3hbl n ALA 220 Ca 0.18 -3.31 -0.10 0.00 0.00 0.00 0.00 53.44 50.21 3hbl n ALA 220 Cb 0.76 -1.58 -0.08 0.00 0.00 0.00 0.00 19.45 18.55 3hbl n ALA 220 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3hbl n LYS 221 N -0.99 0.84 -0.00 0.00 5.02 -1.24 -4.69 118.16 117.10 3hbl n LYS 221 Ca 0.60 0.07 0.11 0.00 -2.02 0.00 0.00 58.31 57.06 3hbl n LYS 221 Cb 0.99 -1.33 -0.13 0.00 -0.02 0.00 0.00 35.03 34.55 3hbl n LYS 221 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3hbl n SER 222 N -2.83 0.47 0.12 4.39 7.64 -1.26 -4.31 113.62 117.83 3hbl n SER 222 Ca -0.26 -0.40 0.11 0.00 1.01 0.00 0.00 58.87 59.33 3hbl n SER 222 Cb 0.84 1.46 0.48 0.00 -1.01 0.00 0.00 64.21 65.97 3hbl n SER 222 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3hbl n GLU 223 N -1.94 0.17 0.01 1.43 1.02 -1.26 -2.49 120.64 117.58 3hbl n GLU 223 Ca -0.00 0.42 -0.02 0.00 -0.02 0.00 0.00 57.16 57.54 3hbl n GLU 223 Cb 0.46 -1.84 -0.10 0.00 -0.02 0.00 0.00 31.44 29.94 3hbl n GLU 223 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hbl n ALA 224 N -1.75 1.87 -2.12 0.62 0.00 -1.26 -5.13 120.51 112.74 3hbl n ALA 224 Ca 0.02 -0.66 -0.40 0.00 0.00 0.00 0.00 53.44 52.40 3hbl n ALA 224 Cb 0.21 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 18.82 3hbl n ALA 224 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3hbl n GLU 225 N -2.86 4.76 -0.36 0.00 -0.58 -1.04 -5.12 120.64 115.44 3hbl n GLU 225 Ca -0.13 -3.71 -0.12 0.00 -0.42 0.00 0.00 57.16 52.79 3hbl n GLU 225 Cb 0.89 -2.59 0.00 0.00 -0.57 0.00 0.00 31.44 29.18 3hbl n GLU 225 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 3hbl n GLU 232 N 1.32 0.00 -4.25 3.49 2.13 -1.26 -4.97 120.64 117.10 3hbl n GLU 232 Ca 0.59 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 58.27 3hbl n GLU 232 Cb 0.25 -0.30 -0.10 0.00 0.27 0.00 0.00 31.44 31.56 3hbl n GLU 232 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 3hbl s VAL 233 N -0.61 0.24 0.12 6.31 -7.23 -1.26 -4.17 120.40 113.81 3hbl s VAL 233 Ca 0.16 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.31 3hbl s VAL 233 Cb -0.13 -2.56 0.01 0.00 0.56 0.00 0.00 36.38 34.26 3hbl s VAL 233 CO 0.21 0.00 0.20 0.00 -0.31 0.00 0.00 175.10 175.20 3hbl n TYR 234 N -0.36 -1.03 -3.84 2.82 0.18 -0.70 -2.21 117.16 112.02 3hbl n TYR 234 Ca 0.01 -0.71 -0.12 0.00 1.88 0.00 0.00 57.90 58.96 3hbl n TYR 234 Cb 0.66 0.23 -0.10 0.00 -0.38 0.00 0.00 39.34 39.75 3hbl n TYR 234 CO 0.00 0.00 0.00 -1.50 -2.08 0.00 0.00 176.86 173.28 3hbl s ILE 235 N -2.62 0.07 0.01 -3.48 2.07 -1.26 -2.47 121.20 113.52 3hbl s ILE 235 Ca 0.08 -0.59 -0.03 0.00 -1.41 0.00 0.00 60.65 58.70 3hbl s ILE 235 Cb -0.01 -0.47 -0.01 0.00 0.13 0.00 0.00 42.46 42.10 3hbl s ILE 235 CO 0.06 -0.33 0.03 -1.61 -1.91 0.00 0.00 174.94 171.18 3hbl s GLU 236 N -1.27 0.36 -0.33 3.50 2.02 -0.29 -3.01 118.70 119.66 3hbl s GLU 236 Ca -0.13 -0.51 -0.29 0.00 0.02 0.00 0.00 54.97 54.06 3hbl s GLU 236 Cb -0.07 0.14 -0.01 0.00 0.10 0.00 0.00 34.13 34.29 3hbl s GLU 236 CO 0.02 -0.07 1.55 0.50 0.02 0.00 0.00 175.26 177.28 3hbl s ARG 237 N -1.37 3.60 -0.48 1.61 3.52 -0.85 0.35 118.95 125.33 3hbl s ARG 237 Ca -0.15 1.27 -0.27 0.00 -0.13 0.00 0.00 55.73 56.45 3hbl s ARG 237 Cb -0.09 -4.06 -0.08 0.00 -1.56 0.00 0.00 34.95 29.17 3hbl s ARG 237 CO -0.00 -1.53 2.40 0.98 -0.81 0.00 0.00 175.30 176.34 3hbl n TYR 238 N 9.00 1.46 -2.23 5.12 9.36 -0.68 -4.85 117.16 134.33 3hbl n TYR 238 Ca 0.19 0.11 -0.42 0.00 3.32 0.00 0.00 57.90 61.09 3hbl n TYR 238 Cb 0.47 -2.63 -0.03 0.00 -0.63 0.00 0.00 39.34 36.52 3hbl n TYR 238 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 3hbl s ILE 239 N 11.45 3.66 0.42 2.97 2.07 -1.26 -4.69 121.20 135.82 3hbl s ILE 239 Ca 1.01 0.59 -0.23 0.00 -1.41 0.00 0.00 60.65 60.61 3hbl s ILE 239 Cb -0.27 -4.12 -0.09 0.00 0.13 0.00 0.00 42.46 38.11 3hbl s ILE 239 CO 0.29 -0.86 1.04 -0.62 -1.91 0.00 0.00 174.94 172.87 3hbl s ASP 240 N 5.40 6.70 -1.38 4.50 -1.08 -1.26 -4.01 116.67 125.54 3hbl s ASP 240 Ca 0.63 1.98 -0.06 0.00 -0.52 0.00 0.00 52.55 54.58 3hbl s ASP 240 Cb -0.14 -2.58 0.03 0.00 -1.46 0.00 0.00 42.92 38.77 3hbl s ASP 240 CO 0.28 -0.53 0.91 -3.20 0.52 0.00 0.00 175.17 173.15 3hbl n ASN 241 N -0.28 -3.30 -4.89 -0.34 4.05 -1.26 -4.98 115.26 104.26 3hbl n ASN 241 Ca 0.06 -0.74 -0.29 0.00 0.45 0.00 0.00 54.58 54.06 3hbl n ASN 241 Cb 0.51 -4.27 0.02 0.00 1.23 0.00 0.00 39.78 37.26 3hbl n ASN 241 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 3hbl s PRO 242 N -6.18 3.35 -0.16 1.20 0.04 -1.26 -4.83 135.00 127.16 3hbl s PRO 242 Ca 0.32 0.38 -0.04 0.00 0.04 0.00 0.00 61.00 61.70 3hbl s PRO 242 Cb -0.15 -2.21 -0.03 0.00 0.04 0.00 0.00 34.50 32.15 3hbl s PRO 242 CO 0.80 -0.54 -0.03 0.21 0.04 0.00 0.00 177.00 177.48 3hbl s LYS 243 N -5.02 3.67 -0.33 4.56 2.20 -0.32 -2.11 119.74 122.38 3hbl s LYS 243 Ca 0.53 -0.52 -0.20 0.00 -0.36 0.00 0.00 55.97 55.42 3hbl s LYS 243 Cb -0.11 -2.93 -0.00 0.00 -1.51 0.00 0.00 37.83 33.28 3hbl s LYS 243 CO 0.49 0.22 0.61 -1.58 -0.36 0.00 0.00 175.35 174.73 3hbl s HIS 244 N 0.43 3.18 -0.05 4.03 5.65 -1.26 -0.35 115.29 126.92 3hbl s HIS 244 Ca -0.03 0.42 0.03 0.00 0.25 0.00 0.00 55.06 55.73 3hbl s HIS 244 Cb -0.14 -3.04 0.01 0.00 -1.18 0.00 0.00 32.58 28.22 3hbl s HIS 244 CO 0.03 -0.55 -0.13 0.42 -0.65 0.00 0.00 174.74 173.86 3hbl s ILE 245 N 2.62 1.12 0.01 0.89 -1.09 -0.92 -0.57 121.20 123.26 3hbl s ILE 245 Ca 0.24 -0.51 0.03 0.00 -2.23 0.00 0.00 60.65 58.17 3hbl s ILE 245 Cb -0.15 -1.00 -0.01 0.00 -1.58 0.00 0.00 42.46 39.72 3hbl s ILE 245 CO 0.13 0.34 -0.09 -1.83 -1.23 0.00 0.00 174.94 172.26 3hbl s GLU 246 N 0.35 0.70 -0.13 2.79 -1.05 -0.58 -0.49 118.70 120.30 3hbl s GLU 246 Ca -0.08 -0.45 -0.04 0.00 -0.15 0.00 0.00 54.97 54.25 3hbl s GLU 246 Cb -0.13 -0.65 -0.03 0.00 -0.44 0.00 0.00 34.13 32.88 3hbl s GLU 246 CO 0.02 0.17 0.02 0.08 0.95 0.00 0.00 175.26 176.51 3hbl s VAL 247 N -0.48 4.49 -0.13 1.83 1.01 0.45 0.06 120.40 127.63 3hbl s VAL 247 Ca 0.01 -0.16 -0.18 0.00 0.00 0.00 0.00 61.98 61.65 3hbl s VAL 247 Cb -0.05 -2.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.35 3hbl s VAL 247 CO 0.00 0.55 0.47 -1.58 0.00 0.00 0.00 175.10 174.54 3hbl s GLN 248 N -0.38 4.32 -0.02 2.72 2.00 -0.56 -1.65 119.66 126.09 3hbl s GLN 248 Ca 0.08 0.41 0.03 0.00 -2.00 0.00 0.00 55.36 53.88 3hbl s GLN 248 Cb -0.12 -3.45 -0.00 0.00 0.80 0.00 0.00 33.01 30.24 3hbl s GLN 248 CO 0.02 0.13 -0.11 0.08 -0.50 0.00 0.00 175.29 174.91 3hbl s VAL 249 N 0.73 0.87 -0.02 1.34 1.01 -0.22 0.11 120.40 124.21 3hbl s VAL 249 Ca 0.25 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 61.80 3hbl s VAL 249 Cb -0.15 -0.74 0.00 0.00 0.00 0.00 0.00 36.38 35.49 3hbl s VAL 249 CO 0.10 0.25 -0.06 -0.63 0.00 0.00 0.00 175.10 174.76 3hbl s ILE 250 N -0.08 0.51 0.04 2.22 1.01 0.52 -0.78 121.20 124.64 3hbl s ILE 250 Ca 0.01 -0.23 0.04 0.00 0.00 0.00 0.00 60.65 60.48 3hbl s ILE 250 Cb -0.06 -0.46 -0.02 0.00 0.01 0.00 0.00 42.46 41.92 3hbl s ILE 250 CO 0.00 0.17 -0.13 -0.83 0.00 0.00 0.00 174.94 174.15 3hbl s GLY 251 N 0.14 0.74 0.00 6.18 0.00 -0.73 -0.42 107.32 113.22 3hbl s GLY 251 Ca -0.01 -0.82 0.00 0.00 0.00 0.00 0.00 44.72 43.89 3hbl s GLY 251 CO -0.00 -0.81 0.00 2.09 0.00 0.00 0.00 173.10 174.37 3hbl n ASP 252 N 1.77 0.00 -0.39 1.64 3.85 0.41 0.97 116.55 124.80 3hbl n ASP 252 Ca -0.19 -0.73 0.14 0.00 -0.71 0.00 0.00 54.79 53.30 3hbl n ASP 252 Cb 0.55 0.00 0.54 0.00 -1.35 0.00 0.00 41.12 40.86 3hbl n ASP 252 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 3hbl n GLU 253 N -0.73 1.45 -0.30 0.11 -0.58 -1.26 -4.21 120.64 115.11 3hbl n GLU 253 Ca 0.00 -0.79 0.07 0.00 -0.42 0.00 0.00 57.16 56.02 3hbl n GLU 253 Cb 0.00 -1.48 0.21 0.00 -0.57 0.00 0.00 31.44 29.60 3hbl n GLU 253 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 3hbl n HIS 254 N -0.08 0.72 -0.35 -0.32 8.25 -1.26 -4.94 115.22 117.23 3hbl n HIS 254 Ca 0.18 -0.62 0.00 0.00 -0.26 0.00 0.00 57.72 57.02 3hbl n HIS 254 Cb 0.33 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.31 3hbl n HIS 254 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hbl n GLY 255 N 0.31 0.73 3.67 -1.41 0.00 -1.26 -5.05 105.19 102.18 3hbl n GLY 255 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 3hbl n GLY 255 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hbl s ASN 256 N -2.65 6.66 0.00 1.61 0.02 -1.26 -4.98 114.94 114.34 3hbl s ASN 256 Ca 0.00 0.79 0.05 0.00 -1.02 0.00 0.00 52.86 52.68 3hbl s ASN 256 Cb 0.00 -2.32 -0.01 0.00 0.02 0.00 0.00 41.25 38.94 3hbl s ASN 256 CO 0.00 -0.18 -0.14 -0.63 0.02 0.00 0.00 177.10 176.17 3hbl s ILE 257 N 1.51 1.14 0.13 0.60 1.01 -1.26 -0.44 121.20 123.88 3hbl s ILE 257 Ca 0.27 -0.74 0.00 0.00 0.00 0.00 0.00 60.65 60.18 3hbl s ILE 257 Cb -0.16 -0.98 -0.04 0.00 0.01 0.00 0.00 42.46 41.29 3hbl s ILE 257 CO 0.11 0.23 0.01 0.68 0.00 0.00 0.00 174.94 175.96 3hbl s VAL 258 N -0.49 0.40 0.21 2.92 -7.23 0.44 -4.98 120.40 111.66 3hbl s VAL 258 Ca 0.05 -1.92 0.07 0.00 -1.81 0.00 0.00 61.98 58.37 3hbl s VAL 258 Cb -0.06 -1.93 -0.04 0.00 0.56 0.00 0.00 36.38 34.91 3hbl s VAL 258 CO 0.00 -0.62 0.08 -1.38 -0.31 0.00 0.00 175.10 172.87 3hbl s HIS 259 N -3.84 2.95 -0.37 2.82 -3.43 -1.26 -0.35 115.29 111.80 3hbl s HIS 259 Ca 0.19 -0.12 0.05 0.00 -0.80 0.00 0.00 55.06 54.39 3hbl s HIS 259 Cb 0.07 -1.38 0.45 0.00 -1.43 0.00 0.00 32.58 30.29 3hbl s HIS 259 CO -0.01 0.54 1.32 1.28 -2.00 0.00 0.00 174.74 175.87 3hbl n LEU 260 N -0.57 5.36 0.00 5.38 4.77 0.12 -4.95 117.00 127.10 3hbl n LEU 260 Ca -0.08 -4.74 0.00 0.00 -0.03 0.00 0.00 56.01 51.15 3hbl n LEU 260 Cb 0.56 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 3hbl n LEU 260 CO 0.41 2.03 0.00 0.49 -1.33 0.00 0.00 177.39 178.99 3hbl n PHE 261 N -0.71 -1.15 -4.23 -1.77 3.01 -1.26 -4.75 117.46 106.60 3hbl n PHE 261 Ca 0.46 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.68 3hbl n PHE 261 Cb 0.87 0.14 -0.08 0.00 -0.01 0.00 0.00 39.48 40.40 3hbl n PHE 261 CO 0.00 0.00 0.00 -1.83 1.01 0.00 0.00 176.76 175.94 3hbl s GLU 262 N 0.00 2.21 -0.08 -1.08 1.03 -1.26 -1.49 118.70 118.03 3hbl s GLU 262 Ca 0.00 -1.67 0.02 0.00 0.03 0.00 0.00 54.97 53.35 3hbl s GLU 262 Cb 0.00 -2.03 0.02 0.00 -0.80 0.00 0.00 34.13 31.31 3hbl s GLU 262 CO 0.00 0.12 -0.12 1.03 -1.33 0.00 0.00 175.26 174.96 3hbl s ARG 263 N -3.78 1.75 -0.24 -4.83 0.52 0.11 -4.16 118.95 108.32 3hbl s ARG 263 Ca 0.36 -0.41 -0.29 0.00 -0.52 0.00 0.00 55.73 54.87 3hbl s ARG 263 Cb -0.01 -1.51 0.01 0.00 0.52 0.00 0.00 34.95 33.96 3hbl s ARG 263 CO 0.21 -0.04 1.09 0.34 0.02 0.00 0.00 175.30 176.92 3hbl s ASP 264 N 0.89 7.02 -0.29 0.23 3.68 -0.44 -1.53 116.67 126.23 3hbl s ASP 264 Ca -0.10 1.35 0.08 0.00 2.13 0.00 0.00 52.55 56.00 3hbl s ASP 264 Cb -0.15 -2.54 0.46 0.00 -1.45 0.00 0.00 42.92 39.24 3hbl s ASP 264 CO 0.01 -0.74 1.32 0.00 0.13 0.00 0.00 175.17 175.89 3hbl h SER 266 N 1.54 0.00 -2.57 0.00 0.02 -1.76 -3.41 113.55 107.37 3hbl h SER 266 Ca 0.24 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.65 3hbl h SER 266 Cb 1.35 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.82 3hbl h SER 266 CO 0.51 0.22 1.03 -0.69 -1.14 0.00 0.00 176.83 176.76 3hbl s VAL 267 N -3.20 3.80 0.17 2.27 1.01 -1.24 -3.03 120.40 120.17 3hbl s VAL 267 Ca 0.05 0.53 -0.22 0.00 0.00 0.00 0.00 61.98 62.33 3hbl s VAL 267 Cb 0.07 -4.87 0.06 0.00 0.00 0.00 0.00 36.38 31.64 3hbl s VAL 267 CO 0.69 -1.73 0.60 0.00 0.00 0.00 0.00 175.10 174.66 3hbl s GLN 268 N 5.53 1.31 -0.22 2.72 -2.07 -1.26 -1.33 119.66 124.33 3hbl s GLN 268 Ca 0.37 -0.52 -0.13 0.00 -1.82 0.00 0.00 55.36 53.25 3hbl s GLN 268 Cb -0.08 0.58 -0.09 0.00 -1.09 0.00 0.00 33.01 32.34 3hbl s GLN 268 CO 0.18 -0.57 -0.31 2.89 -1.32 0.00 0.00 175.29 176.15 3hbl n ARG 269 N -0.38 0.50 0.00 9.60 1.85 -1.08 -4.41 116.66 122.75 3hbl n ARG 269 Ca -0.16 0.21 0.00 0.00 -1.00 0.00 0.00 57.85 56.90 3hbl n ARG 269 Cb 0.64 -1.35 0.00 0.00 -1.05 0.00 0.00 32.46 30.71 3hbl n ARG 269 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3hbl n ARG 270 N -4.16 0.00 -0.01 2.89 1.74 -1.26 -4.88 116.66 110.98 3hbl n ARG 270 Ca -0.38 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 56.71 3hbl n ARG 270 Cb 0.73 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 32.18 3hbl n ARG 270 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 3hbl n HIS 271 N -2.42 0.02 -4.09 -1.55 -0.00 -1.26 -5.05 115.22 100.88 3hbl n HIS 271 Ca 0.00 -0.20 -0.33 0.00 0.46 0.00 0.00 57.72 57.65 3hbl n HIS 271 Cb 0.00 -0.02 -0.16 0.00 -0.12 0.00 0.00 29.99 29.70 3hbl n HIS 271 CO 0.00 0.00 0.00 -1.14 0.46 0.00 0.00 176.34 175.66 3hbl s GLN 272 N -0.46 3.09 0.11 1.57 0.74 -1.26 -5.10 119.66 118.35 3hbl s GLN 272 Ca 0.02 -0.78 -0.31 0.00 0.05 0.00 0.00 55.36 54.34 3hbl s GLN 272 Cb 0.01 -2.68 -0.08 0.00 1.10 0.00 0.00 33.01 31.36 3hbl s GLN 272 CO 0.02 -0.20 1.48 0.15 -0.55 0.00 0.00 175.29 176.19 3hbl s LYS 273 N 1.31 4.27 -0.03 1.67 1.02 -1.26 -2.63 119.74 124.10 3hbl s LYS 273 Ca 0.05 2.18 -0.06 0.00 0.02 0.00 0.00 55.97 58.16 3hbl s LYS 273 Cb -0.13 -3.32 -0.02 0.00 -0.52 0.00 0.00 37.83 33.84 3hbl s LYS 273 CO -0.10 -0.55 -0.11 0.28 -0.92 0.00 0.00 175.35 173.96 3hbl n VAL 274 N 4.16 0.82 -4.60 3.17 0.31 -0.44 -4.99 118.33 116.76 3hbl n VAL 274 Ca 0.13 0.27 -0.29 0.00 -0.01 0.00 0.00 64.34 64.44 3hbl n VAL 274 Cb 0.41 -1.69 -0.17 0.00 -0.91 0.00 0.00 33.84 31.49 3hbl n VAL 274 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3hbl s VAL 275 N -1.88 1.55 -0.04 2.52 1.01 -0.63 -4.14 120.40 118.79 3hbl s VAL 275 Ca -0.09 -0.69 0.05 0.00 0.00 0.00 0.00 61.98 61.25 3hbl s VAL 275 Cb 0.01 -1.40 -0.02 0.00 0.00 0.00 0.00 36.38 34.97 3hbl s VAL 275 CO 0.13 0.45 -0.18 -1.61 0.00 0.00 0.00 175.10 173.89 3hbl s GLU 276 N 0.82 2.36 0.19 2.72 8.01 -1.11 -3.68 118.70 128.01 3hbl s GLU 276 Ca -0.10 -0.78 0.10 0.00 0.01 0.00 0.00 54.97 54.21 3hbl s GLU 276 Cb -0.16 -2.26 -0.04 0.00 -4.31 0.00 0.00 34.13 27.36 3hbl s GLU 276 CO 0.01 0.60 -0.18 0.08 0.01 0.00 0.00 175.26 175.78 3hbl s VAL 277 N -0.69 2.68 0.00 2.63 1.01 0.09 -1.91 120.40 124.21 3hbl s VAL 277 Ca 0.11 -1.89 0.00 0.00 0.00 0.00 0.00 61.98 60.20 3hbl s VAL 277 Cb -0.10 -2.31 0.00 0.00 0.00 0.00 0.00 36.38 33.97 3hbl s VAL 277 CO 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 175.10 174.98 3hbl n ALA 278 N 0.16 0.00 -1.41 5.51 0.00 0.87 -1.33 120.51 124.31 3hbl n ALA 278 Ca -0.12 0.00 -0.51 0.00 0.00 0.00 0.00 53.44 52.81 3hbl n ALA 278 Cb 0.56 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.92 3hbl n ALA 278 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3hbl n PRO 279 N 0.00 0.72 -1.64 0.00 -0.04 -1.26 -4.11 135.00 128.67 3hbl n PRO 279 Ca 0.00 0.18 -0.54 0.00 -0.04 0.00 0.00 63.50 63.10 3hbl n PRO 279 Cb 0.00 -2.20 -0.06 0.00 -0.04 0.00 0.00 33.50 31.19 3hbl n PRO 279 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3hbl n SER 280 N 9.68 1.93 -4.78 3.54 3.41 -1.26 -4.92 113.62 121.22 3hbl n SER 280 Ca 0.46 1.10 -0.37 0.00 -0.26 0.00 0.00 58.87 59.81 3hbl n SER 280 Cb 0.16 -1.17 -0.06 0.00 -0.26 0.00 0.00 64.21 62.88 3hbl n SER 280 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3hbl s VAL 281 N 1.74 4.18 0.00 -3.33 1.01 -1.26 -3.91 120.40 118.83 3hbl s VAL 281 Ca 0.90 1.77 0.00 0.00 0.00 0.00 0.00 61.98 64.65 3hbl s VAL 281 Cb -1.01 -3.97 0.00 0.00 0.00 0.00 0.00 36.38 31.41 3hbl s VAL 281 CO 0.55 0.11 0.00 0.61 0.00 0.00 0.00 175.10 176.36 3hbl n GLY 282 N 0.48 3.05 3.67 4.51 0.00 -1.26 -4.62 105.19 111.02 3hbl n GLY 282 Ca 0.02 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.77 3hbl n GLY 282 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hbl s LEU 283 N 0.00 4.39 0.53 0.99 1.43 -1.25 -4.97 118.68 119.79 3hbl s LEU 283 Ca 0.00 2.56 -0.22 0.00 -1.03 0.00 0.00 54.13 55.44 3hbl s LEU 283 Cb 0.00 -3.55 -0.05 0.00 0.03 0.00 0.00 46.19 42.62 3hbl s LEU 283 CO 0.00 -0.98 1.32 -0.94 0.23 0.00 0.00 176.35 175.98 3hbl s SER 284 N 3.39 5.46 0.53 2.29 1.04 -1.26 -4.84 113.70 120.31 3hbl s SER 284 Ca 0.81 2.67 0.22 0.00 0.48 0.00 0.00 55.95 60.13 3hbl s SER 284 Cb -0.41 -2.63 1.37 0.00 0.10 0.00 0.00 66.02 64.45 3hbl s SER 284 CO 0.36 -1.43 2.05 -0.65 0.98 0.00 0.00 173.24 174.55 3hbl h PRO 285 N 1.59 0.00 -0.07 4.02 0.11 -1.99 -1.23 132.00 134.43 3hbl h PRO 285 Ca -0.51 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 3hbl h PRO 285 Cb 1.29 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.40 3hbl h PRO 285 CO 0.58 0.00 0.04 1.79 -0.21 0.00 0.00 178.00 180.20 3hbl h THR 286 N 0.00 1.05 -0.76 -1.15 1.35 -1.99 0.30 112.91 111.71 3hbl h THR 286 Ca 0.16 -0.14 -0.03 0.00 -0.55 0.00 0.00 66.41 65.84 3hbl h THR 286 Cb 0.65 1.02 -0.04 0.00 -1.73 0.00 0.00 68.15 68.05 3hbl h THR 286 CO -0.00 0.05 0.34 0.25 -0.25 0.00 0.00 175.52 175.91 3hbl h LEU 287 N 0.06 1.01 -0.00 3.87 6.46 -1.61 -1.78 115.31 123.31 3hbl h LEU 287 Ca 0.03 -0.13 -0.00 0.00 -0.12 0.00 0.00 57.88 57.66 3hbl h LEU 287 Cb 0.04 -0.26 -0.00 0.00 -0.73 0.00 0.00 40.66 39.71 3hbl h LEU 287 CO -0.00 0.87 0.00 -0.09 -0.62 0.00 0.00 178.44 178.59 3hbl h ARG 288 N 1.09 0.00 -0.10 1.25 2.43 -1.10 -2.28 114.38 115.67 3hbl h ARG 288 Ca 0.26 -0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.46 3hbl h ARG 288 Cb 0.14 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.66 3hbl h ARG 288 CO -0.03 0.26 -0.10 1.96 -1.51 0.00 0.00 179.97 180.56 3hbl h GLN 289 N -0.26 -0.11 -0.61 0.20 1.08 -0.26 -0.25 115.11 114.89 3hbl h GLN 289 Ca 0.00 0.01 0.09 0.00 -1.45 0.00 0.00 58.65 57.30 3hbl h GLN 289 Cb 0.26 0.03 -0.07 0.00 -0.05 0.00 0.00 27.48 27.65 3hbl h GLN 289 CO 0.00 -0.08 0.25 -0.09 -0.95 0.00 0.00 178.83 177.96 3hbl h ARG 290 N -0.12 0.43 0.03 1.46 2.43 -1.33 0.41 114.38 117.70 3hbl h ARG 290 Ca 0.07 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 3hbl h ARG 290 Cb 0.22 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 3hbl h ARG 290 CO -0.18 0.28 -0.02 0.82 -1.51 0.00 0.00 179.97 179.37 3hbl h ILE 291 N 0.44 1.22 -0.75 1.20 2.04 -1.07 -0.06 117.51 120.53 3hbl h ILE 291 Ca 0.31 -0.79 0.05 0.00 1.00 0.00 0.00 64.86 65.42 3hbl h ILE 291 Cb 0.36 1.74 -0.05 0.00 -0.74 0.00 0.00 36.82 38.13 3hbl h ILE 291 CO -0.29 0.20 0.46 0.00 0.00 0.00 0.00 178.15 178.52 3hbl h ASP 293 N 0.86 -0.04 -0.81 0.00 3.32 -0.07 -0.96 116.42 118.73 3hbl h ASP 293 Ca 0.32 0.04 0.08 0.00 0.02 0.00 0.00 57.03 57.49 3hbl h ASP 293 Cb 0.11 0.07 -0.05 0.00 0.22 0.00 0.00 39.33 39.67 3hbl h ASP 293 CO -0.15 0.01 0.53 0.00 -1.72 0.00 0.00 179.24 177.91 3hbl h ALA 294 N 1.17 1.66 -0.24 3.45 0.00 -0.53 0.31 119.26 125.08 3hbl h ALA 294 Ca 0.10 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3hbl h ALA 294 Cb 0.11 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3hbl h ALA 294 CO -0.15 0.20 -0.03 0.00 0.00 0.00 0.00 179.25 179.27 3hbl h ALA 295 N 1.57 0.32 -0.47 0.00 0.00 -0.69 -1.97 119.26 118.03 3hbl h ALA 295 Ca 0.36 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 3hbl h ALA 295 Cb 0.30 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3hbl h ALA 295 CO -0.13 0.08 -0.10 0.82 0.00 0.00 0.00 179.25 179.92 3hbl h ILE 296 N 0.19 1.27 -0.92 0.00 1.08 -0.59 -1.18 117.51 117.36 3hbl h ILE 296 Ca 0.06 -1.22 0.07 0.00 -0.39 0.00 0.00 64.86 63.39 3hbl h ILE 296 Cb 0.46 1.10 -0.07 0.00 -3.07 0.00 0.00 36.82 35.25 3hbl h ILE 296 CO 0.02 0.42 0.58 -0.61 -0.69 0.00 0.00 178.15 177.87 3hbl h GLN 297 N 0.73 1.01 0.07 2.37 4.15 -0.37 0.28 115.11 123.35 3hbl h GLN 297 Ca 0.12 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.48 3hbl h GLN 297 Cb 0.64 -0.23 0.00 0.00 0.21 0.00 0.00 27.48 28.11 3hbl h GLN 297 CO 0.04 0.67 -0.03 1.25 -1.93 0.00 0.00 178.83 178.83 3hbl h LEU 298 N 1.04 -0.08 -1.08 -2.39 5.85 -1.11 -2.55 115.31 114.98 3hbl h LEU 298 Ca 0.41 -0.48 -0.09 0.00 0.84 0.00 0.00 57.88 58.55 3hbl h LEU 298 Cb 0.20 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 3hbl h LEU 298 CO -0.18 0.48 -0.33 0.24 -0.34 0.00 0.00 178.44 178.30 3hbl h MET 299 N -0.67 0.22 -0.56 1.25 2.86 -0.95 -2.00 114.93 115.08 3hbl h MET 299 Ca -0.01 -0.09 -0.09 0.00 -2.06 0.00 0.00 59.70 57.45 3hbl h MET 299 Cb 0.56 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.19 3hbl h MET 299 CO 0.02 0.54 -0.01 0.93 1.06 0.00 0.00 176.91 179.44 3hbl h GLU 300 N 0.20 0.99 0.00 1.72 5.08 -0.53 -0.05 114.58 121.99 3hbl h GLU 300 Ca 0.03 -0.32 -0.02 0.00 -1.00 0.00 0.00 59.36 58.05 3hbl h GLU 300 Cb 0.69 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 3hbl h GLU 300 CO 0.05 0.99 -0.10 -0.97 -1.00 0.00 0.00 179.01 177.98 3hbl h ASN 301 N 0.87 0.00 -0.06 1.42 -1.24 -0.92 -2.20 115.58 113.45 3hbl h ASN 301 Ca 0.16 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.17 3hbl h ASN 301 Cb 0.55 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.60 3hbl h ASN 301 CO 0.03 0.10 0.00 2.30 -1.29 0.00 0.00 177.43 178.57 3hbl n ILE 302 N -3.90 1.72 -3.62 2.57 -6.64 -1.15 -5.01 119.36 103.33 3hbl n ILE 302 Ca -0.02 -1.88 -0.25 0.00 -1.77 0.00 0.00 62.75 58.82 3hbl n ILE 302 Cb 0.19 -0.05 0.04 0.00 -1.44 0.00 0.00 39.64 38.38 3hbl n ILE 302 CO 0.00 0.00 0.00 0.29 -1.77 0.00 0.00 176.55 175.07 3hbl n LYS 303 N -1.00 -2.48 -2.11 6.28 5.02 -0.83 -4.90 118.16 118.14 3hbl n LYS 303 Ca 0.13 0.57 -0.40 0.00 -2.02 0.00 0.00 58.31 56.60 3hbl n LYS 303 Cb 0.59 -4.73 -0.01 0.00 -0.02 0.00 0.00 35.03 30.85 3hbl n LYS 303 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 3hbl s TYR 304 N -3.54 2.93 0.01 2.13 6.14 -0.06 -4.98 117.35 119.98 3hbl s TYR 304 Ca 0.32 1.44 0.05 0.00 0.64 0.00 0.00 57.07 59.52 3hbl s TYR 304 Cb -0.10 -3.63 -0.02 0.00 0.42 0.00 0.00 41.96 38.64 3hbl s TYR 304 CO 0.83 -1.89 -0.17 0.08 0.64 0.00 0.00 175.55 175.04 3hbl s VAL 305 N -1.25 1.34 0.00 3.14 1.01 -1.26 -4.52 120.40 118.86 3hbl s VAL 305 Ca 0.55 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.68 3hbl s VAL 305 Cb -0.37 -1.14 0.00 0.00 0.00 0.00 0.00 36.38 34.87 3hbl s VAL 305 CO 0.48 0.28 0.00 -3.20 0.00 0.00 0.00 175.10 172.66 3hbl n ASN 306 N 2.40 -1.41 -4.75 3.32 2.85 0.27 -3.44 115.26 114.50 3hbl n ASN 306 Ca -0.16 0.00 -0.41 0.00 -0.11 0.00 0.00 54.58 53.91 3hbl n ASN 306 Cb 0.54 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 41.52 3hbl n ASN 306 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3hbl s ALA 307 N -1.25 3.36 0.15 5.20 0.00 -1.26 -1.78 121.76 126.19 3hbl s ALA 307 Ca 0.00 0.78 -0.18 0.00 0.00 0.00 0.00 51.96 52.56 3hbl s ALA 307 Cb 0.00 -3.31 0.04 0.00 0.00 0.00 0.00 23.12 19.85 3hbl s ALA 307 CO 0.00 -0.09 0.48 0.20 0.00 0.00 0.00 175.76 176.35 3hbl s GLY 308 N -0.56 -0.27 -0.05 0.00 0.00 0.04 -3.07 107.32 103.40 3hbl s GLY 308 Ca 0.46 -0.01 0.05 0.00 0.00 0.00 0.00 44.72 45.22 3hbl s GLY 308 CO 0.36 -0.21 -0.20 -1.59 0.00 0.00 0.00 173.10 171.46 3hbl s THR 309 N -3.82 1.65 -0.21 0.90 2.01 -0.24 -1.06 115.64 114.87 3hbl s THR 309 Ca 0.05 -0.83 -0.09 0.00 0.31 0.00 0.00 61.69 61.13 3hbl s THR 309 Cb 0.00 -1.41 -0.04 0.00 0.01 0.00 0.00 72.50 71.06 3hbl s THR 309 CO -0.09 0.47 0.10 -0.69 -0.69 0.00 0.00 174.62 173.72 3hbl s VAL 310 N 0.03 4.97 -0.16 3.82 1.01 -0.66 -1.29 120.40 128.11 3hbl s VAL 310 Ca -0.05 0.04 -0.03 0.00 0.00 0.00 0.00 61.98 61.93 3hbl s VAL 310 Cb -0.13 -3.28 -0.02 0.00 0.00 0.00 0.00 36.38 32.95 3hbl s VAL 310 CO 0.03 0.40 -0.05 -1.61 0.00 0.00 0.00 175.10 173.88 3hbl s GLU 311 N 0.76 3.60 0.19 2.72 2.02 0.05 -0.41 118.70 127.63 3hbl s GLU 311 Ca 0.05 -0.55 0.10 0.00 0.02 0.00 0.00 54.97 54.59 3hbl s GLU 311 Cb -0.13 -2.89 -0.04 0.00 0.10 0.00 0.00 34.13 31.17 3hbl s GLU 311 CO 0.02 0.19 -0.20 -0.06 0.02 0.00 0.00 175.26 175.22 3hbl s PHE 312 N 0.49 2.03 -0.10 1.61 0.40 0.36 -0.02 117.98 122.76 3hbl s PHE 312 Ca -0.04 -0.42 0.04 0.00 -0.60 0.00 0.00 56.93 55.91 3hbl s PHE 312 Cb -0.15 -0.99 -0.01 0.00 0.51 0.00 0.00 43.02 42.39 3hbl s PHE 312 CO 0.03 0.44 -0.22 -0.51 0.70 0.00 0.00 175.22 175.65 3hbl s LEU 313 N -2.80 2.21 -0.04 -0.37 1.02 -0.32 -2.16 118.68 116.23 3hbl s LEU 313 Ca 0.19 -0.50 0.06 0.00 0.02 0.00 0.00 54.13 53.91 3hbl s LEU 313 Cb -0.06 -1.44 -0.01 0.00 0.02 0.00 0.00 46.19 44.69 3hbl s LEU 313 CO 0.09 0.18 -0.23 -0.69 0.02 0.00 0.00 176.35 175.72 3hbl s VAL 314 N 0.22 1.89 -0.15 -1.59 1.01 0.53 -1.05 120.40 121.25 3hbl s VAL 314 Ca -0.14 -1.00 -0.04 0.00 0.00 0.00 0.00 61.98 60.81 3hbl s VAL 314 Cb -0.17 -1.59 0.07 0.00 0.00 0.00 0.00 36.38 34.70 3hbl s VAL 314 CO 0.07 0.53 0.22 -0.55 0.00 0.00 0.00 175.10 175.37 3hbl s SER 315 N -0.31 0.92 1.76 3.32 0.15 0.51 -1.18 113.70 118.87 3hbl s SER 315 Ca 0.02 0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.82 3hbl s SER 315 Cb -0.11 0.45 0.00 0.00 -1.71 0.00 0.00 66.02 64.65 3hbl s SER 315 CO 0.01 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 174.78 3hbl n GLY 317 N 5.33 3.19 0.00 9.45 0.00 -1.26 -1.53 105.19 120.37 3hbl n GLY 317 Ca -0.05 0.07 0.07 0.00 0.00 0.00 0.00 46.02 46.11 3hbl n GLY 317 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hbl n ASP 318 N 9.70 0.84 -4.74 1.61 8.00 -1.26 -4.97 116.55 125.73 3hbl n ASP 318 Ca 0.00 -0.71 -0.41 0.00 0.71 0.00 0.00 54.79 54.39 3hbl n ASP 318 Cb 0.00 1.12 -0.05 0.00 -0.02 0.00 0.00 41.12 42.18 3hbl n ASP 318 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3hbl s GLU 319 N -2.54 4.72 0.23 -1.24 2.02 -0.58 -5.01 118.70 116.29 3hbl s GLU 319 Ca 0.04 1.55 0.07 0.00 0.02 0.00 0.00 54.97 56.65 3hbl s GLU 319 Cb 0.11 -3.31 -0.05 0.00 0.10 0.00 0.00 34.13 30.98 3hbl s GLU 319 CO 0.62 0.27 -0.10 -0.59 0.02 0.00 0.00 175.26 175.48 3hbl s PHE 320 N -0.48 1.78 -0.04 1.61 -0.71 -1.26 -0.36 117.98 118.51 3hbl s PHE 320 Ca 0.46 -0.66 -0.02 0.00 -1.04 0.00 0.00 56.93 55.66 3hbl s PHE 320 Cb -0.26 -0.92 0.02 0.00 -1.21 0.00 0.00 43.02 40.65 3hbl s PHE 320 CO 0.32 0.29 0.10 -0.06 -1.34 0.00 0.00 175.22 174.53 3hbl s PHE 321 N -3.04 -0.10 0.30 3.49 0.40 -0.21 -4.74 117.98 114.08 3hbl s PHE 321 Ca 0.26 0.31 -0.29 0.00 -0.60 0.00 0.00 56.93 56.60 3hbl s PHE 321 Cb 0.02 -0.06 -0.10 0.00 0.51 0.00 0.00 43.02 43.39 3hbl s PHE 321 CO 0.09 -0.10 1.36 0.12 0.70 0.00 0.00 175.22 177.39 3hbl s PHE 322 N 0.63 3.02 0.01 0.36 2.19 -0.17 -1.17 117.98 122.85 3hbl s PHE 322 Ca -0.05 1.27 -0.02 0.00 0.33 0.00 0.00 56.93 58.46 3hbl s PHE 322 Cb -0.07 -3.74 -0.01 0.00 -1.31 0.00 0.00 43.02 37.90 3hbl s PHE 322 CO -0.03 -2.18 -0.04 -0.89 1.83 0.00 0.00 175.22 173.91 3hbl n ILE 323 N 1.37 0.61 -3.94 3.12 2.08 0.98 -4.12 119.36 119.46 3hbl n ILE 323 Ca 0.03 0.23 -0.09 0.00 0.56 0.00 0.00 62.75 63.47 3hbl n ILE 323 Cb 0.41 -1.43 -0.03 0.00 -0.75 0.00 0.00 39.64 37.84 3hbl n ILE 323 CO 0.00 0.00 0.00 -1.83 0.56 0.00 0.00 176.55 175.28 3hbl s GLU 324 N -1.57 1.76 -0.05 0.38 -1.05 -1.21 -4.93 118.70 112.02 3hbl s GLU 324 Ca -0.03 -1.25 0.05 0.00 -0.15 0.00 0.00 54.97 53.59 3hbl s GLU 324 Cb 0.00 0.54 -0.02 0.00 -0.44 0.00 0.00 34.13 34.21 3hbl s GLU 324 CO 0.05 -0.77 -0.22 0.08 0.95 0.00 0.00 175.26 175.35 3hbl s VAL 325 N -3.64 2.38 -0.45 1.83 1.01 -1.26 -0.77 120.40 119.50 3hbl s VAL 325 Ca 0.19 -0.96 -0.10 0.00 0.00 0.00 0.00 61.98 61.11 3hbl s VAL 325 Cb -0.03 -1.89 0.10 0.00 0.00 0.00 0.00 36.38 34.56 3hbl s VAL 325 CO 0.10 0.57 0.31 0.20 0.00 0.00 0.00 175.10 176.29 3hbl s ASN 326 N -0.36 5.72 -1.55 3.32 0.01 -0.41 -4.90 114.94 116.76 3hbl s ASN 326 Ca 0.03 -1.68 -0.11 0.00 -0.71 0.00 0.00 52.86 50.38 3hbl s ASN 326 Cb -0.12 -2.02 -0.03 0.00 0.41 0.00 0.00 41.25 39.49 3hbl s ASN 326 CO 0.02 -0.62 2.65 -0.81 -1.51 0.00 0.00 177.10 176.83 3hbl n PRO 327 N 4.94 3.43 -3.18 -0.60 -0.04 -1.26 -1.08 135.00 137.21 3hbl n PRO 327 Ca -0.09 -2.43 0.00 0.00 -0.04 0.00 0.00 63.50 60.94 3hbl n PRO 327 Cb 0.42 -2.98 0.00 0.00 -0.04 0.00 0.00 33.50 30.90 3hbl n PRO 327 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 3hbl n ARG 328 N 4.44 -3.13 -1.41 0.54 -4.01 -1.17 -4.63 116.66 107.29 3hbl n ARG 328 Ca 0.68 0.00 -0.32 0.00 -1.04 0.00 0.00 57.85 57.17 3hbl n ARG 328 Cb 0.29 0.00 0.08 0.00 -3.04 0.00 0.00 32.46 29.79 3hbl n ARG 328 CO 0.00 0.00 0.00 0.14 -3.04 0.00 0.00 177.63 174.73 3hbl s VAL 329 N -2.03 3.18 0.37 8.89 -7.23 -1.26 -4.27 120.40 118.05 3hbl s VAL 329 Ca 0.00 0.45 0.08 0.00 -1.81 0.00 0.00 61.98 60.70 3hbl s VAL 329 Cb 0.00 -2.92 -0.07 0.00 0.56 0.00 0.00 36.38 33.95 3hbl s VAL 329 CO 0.00 -0.43 -0.02 -1.10 -0.31 0.00 0.00 175.10 173.24 3hbl s GLN 330 N -4.55 1.94 0.25 4.82 -0.21 -1.26 -4.52 119.66 116.13 3hbl s GLN 330 Ca 0.64 -1.95 -0.04 0.00 0.02 0.00 0.00 55.36 54.03 3hbl s GLN 330 Cb -0.19 -1.75 0.46 0.00 1.00 0.00 0.00 33.01 32.53 3hbl s GLN 330 CO 0.50 0.06 1.74 -0.39 -2.12 0.00 0.00 175.29 175.08 3hbl h VAL 331 N 1.85 0.70 -0.02 1.09 -1.51 -1.98 -3.01 116.25 113.37 3hbl h VAL 331 Ca -0.43 -0.17 0.00 0.00 -1.23 0.00 0.00 66.70 64.87 3hbl h VAL 331 Cb 1.25 0.15 0.00 0.00 -2.13 0.00 0.00 31.29 30.56 3hbl h VAL 331 CO 0.73 0.09 0.00 -1.84 -1.23 0.00 0.00 177.57 175.32 3hbl n GLU 332 N -4.95 1.09 0.30 5.19 0.00 -1.26 -4.19 120.64 116.81 3hbl n GLU 332 Ca 0.14 -0.13 0.18 0.00 0.00 0.00 0.00 57.16 57.36 3hbl n GLU 332 Cb 0.40 -1.27 1.01 0.00 0.00 0.00 0.00 31.44 31.59 3hbl n GLU 332 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.13 178.25 3hbl h HIS 333 N 0.26 0.00 -0.92 -1.84 2.07 -1.95 -2.63 115.15 110.14 3hbl h HIS 333 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3hbl h HIS 333 Cb 0.06 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 29.99 3hbl h HIS 333 CO 0.01 0.00 0.59 1.15 -3.07 0.00 0.00 177.93 176.61 3hbl h THR 334 N 0.00 1.24 -0.47 6.12 2.02 -1.86 -2.75 112.91 117.21 3hbl h THR 334 Ca 0.02 -0.47 0.08 0.00 0.77 0.00 0.00 66.41 66.80 3hbl h THR 334 Cb 0.15 -0.09 -0.10 0.00 -1.74 0.00 0.00 68.15 66.37 3hbl h THR 334 CO -0.00 0.24 -0.39 0.40 0.37 0.00 0.00 175.52 176.14 3hbl h ILE 335 N 1.25 0.14 -0.67 3.11 2.04 -1.82 -1.77 117.51 119.79 3hbl h ILE 335 Ca 0.33 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.19 3hbl h ILE 335 Cb -0.11 0.14 -0.03 0.00 -0.74 0.00 0.00 36.82 36.08 3hbl h ILE 335 CO -0.07 0.00 0.39 0.74 0.00 0.00 0.00 178.15 179.21 3hbl h THR 336 N -0.26 1.20 -0.59 -0.27 2.02 -1.68 -2.78 112.91 110.54 3hbl h THR 336 Ca 0.17 -0.47 0.05 0.00 0.77 0.00 0.00 66.41 66.93 3hbl h THR 336 Cb 0.57 0.30 -0.05 0.00 -1.74 0.00 0.00 68.15 67.23 3hbl h THR 336 CO -0.61 0.21 0.33 -0.33 0.37 0.00 0.00 175.52 175.49 3hbl h GLU 337 N 0.91 0.61 -0.72 6.66 5.08 -1.08 0.09 114.58 126.13 3hbl h GLU 337 Ca 0.24 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.51 3hbl h GLU 337 Cb 0.00 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.08 3hbl h GLU 337 CO -0.04 0.40 0.24 0.52 -1.00 0.00 0.00 179.01 179.13 3hbl h MET 338 N 0.63 1.10 0.00 2.33 2.86 -1.08 0.49 114.93 121.26 3hbl h MET 338 Ca 0.26 -0.22 -0.16 0.00 -2.06 0.00 0.00 59.70 57.51 3hbl h MET 338 Cb 0.13 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.59 3hbl h MET 338 CO -0.15 0.93 -1.10 -0.39 1.06 0.00 0.00 176.91 177.25 3hbl h VAL 339 N 1.06 0.79 0.00 -2.22 -1.51 -1.30 -3.35 116.25 109.71 3hbl h VAL 339 Ca 0.24 -2.29 0.00 0.00 -1.23 0.00 0.00 66.70 63.41 3hbl h VAL 339 Cb 0.27 2.29 0.00 0.00 -2.13 0.00 0.00 31.29 31.72 3hbl h VAL 339 CO -0.01 0.45 -1.92 0.35 -1.23 0.00 0.00 177.57 175.20 3hbl n THR 340 N -3.06 0.00 -1.02 7.19 -2.24 -0.02 -0.97 114.28 114.15 3hbl n THR 340 Ca -0.05 -0.46 -0.01 0.00 -2.27 0.00 0.00 64.05 61.26 3hbl n THR 340 Cb 0.84 0.07 -0.00 0.00 -2.10 0.00 0.00 70.33 69.13 3hbl n THR 340 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hbl n GLY 341 N 1.29 0.48 3.73 3.38 0.00 0.17 -4.84 105.19 109.40 3hbl n GLY 341 Ca -0.03 -0.32 -0.35 0.00 0.00 0.00 0.00 46.02 45.32 3hbl n GLY 341 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hbl s ILE 342 N -1.95 4.92 -0.97 -0.61 1.09 -1.21 -5.03 121.20 117.44 3hbl s ILE 342 Ca 0.00 -0.00 -0.22 0.00 -1.10 0.00 0.00 60.65 59.33 3hbl s ILE 342 Cb 0.00 -3.16 0.08 0.00 -1.06 0.00 0.00 42.46 38.32 3hbl s ILE 342 CO 0.00 0.55 1.32 -0.62 -0.10 0.00 0.00 174.94 176.09 3hbl s ASP 343 N -0.40 6.53 0.17 3.58 3.68 -1.26 -4.44 116.67 124.52 3hbl s ASP 343 Ca 0.10 -1.61 -0.16 0.00 2.13 0.00 0.00 52.55 53.01 3hbl s ASP 343 Cb -0.12 -2.51 0.11 0.00 -1.45 0.00 0.00 42.92 38.95 3hbl s ASP 343 CO 0.02 -1.37 1.71 0.40 0.13 0.00 0.00 175.17 176.06 3hbl h ILE 344 N 6.43 0.74 0.08 4.11 2.04 -1.96 0.55 117.51 129.50 3hbl h ILE 344 Ca 0.16 -0.05 -0.00 0.00 1.00 0.00 0.00 64.86 65.96 3hbl h ILE 344 Cb 1.02 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 37.68 3hbl h ILE 344 CO 1.31 0.03 -0.04 0.58 0.00 0.00 0.00 178.15 180.03 3hbl h VAL 345 N 0.15 1.07 -0.54 1.67 2.07 -1.99 -0.30 116.25 118.40 3hbl h VAL 345 Ca 0.19 -0.55 0.08 0.00 0.82 0.00 0.00 66.70 67.24 3hbl h VAL 345 Cb 0.26 1.43 -0.06 0.00 -1.52 0.00 0.00 31.29 31.40 3hbl h VAL 345 CO -0.29 0.14 0.20 0.50 0.02 0.00 0.00 177.57 178.14 3hbl h LYS 346 N -0.36 0.37 -0.85 1.57 3.64 -1.90 -1.72 116.57 117.33 3hbl h LYS 346 Ca -0.01 -0.02 0.11 0.00 -1.27 0.00 0.00 60.65 59.45 3hbl h LYS 346 Cb 0.31 -0.08 -0.08 0.00 -0.41 0.00 0.00 32.23 31.96 3hbl h LYS 346 CO 0.02 0.25 0.48 1.15 -2.27 0.00 0.00 179.45 179.08 3hbl h THR 347 N 0.39 0.88 -0.90 1.00 2.02 -0.42 -1.34 112.91 114.53 3hbl h THR 347 Ca 0.26 -0.27 0.14 0.00 0.77 0.00 0.00 66.41 67.32 3hbl h THR 347 Cb 0.29 0.03 -0.09 0.00 -1.74 0.00 0.00 68.15 66.63 3hbl h THR 347 CO -0.26 0.14 0.51 1.56 0.37 0.00 0.00 175.52 177.84 3hbl h GLN 348 N 0.78 0.71 -0.14 6.66 4.20 -0.12 0.31 115.11 127.51 3hbl h GLN 348 Ca 0.42 -0.04 -0.07 0.00 0.06 0.00 0.00 58.65 59.02 3hbl h GLN 348 Cb 0.43 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 28.05 3hbl h GLN 348 CO -0.27 0.47 -0.19 0.82 -0.67 0.00 0.00 178.83 178.99 3hbl h ILE 349 N 0.73 1.36 -0.47 2.54 2.04 -1.07 -2.20 117.51 120.44 3hbl h ILE 349 Ca 0.48 -1.40 -0.04 0.00 1.00 0.00 0.00 64.86 64.90 3hbl h ILE 349 Cb 0.63 1.94 -0.02 0.00 -0.74 0.00 0.00 36.82 38.63 3hbl h ILE 349 CO -0.33 0.41 0.13 -0.07 0.00 0.00 0.00 178.15 178.29 3hbl h LEU 350 N -0.00 0.63 -0.40 1.44 3.38 -0.93 -1.72 115.31 117.72 3hbl h LEU 350 Ca 0.02 -0.09 -0.15 0.00 0.09 0.00 0.00 57.88 57.75 3hbl h LEU 350 Cb 0.75 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 3hbl h LEU 350 CO 0.05 0.62 -0.33 0.58 0.09 0.00 0.00 178.44 179.45 3hbl h VAL 351 N 0.68 1.27 0.00 1.22 2.07 -0.36 0.04 116.25 121.17 3hbl h VAL 351 Ca 0.16 -1.50 -0.05 0.00 0.82 0.00 0.00 66.70 66.13 3hbl h VAL 351 Cb 0.22 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 3hbl h VAL 351 CO -0.01 0.50 -0.23 0.00 0.02 0.00 0.00 177.57 177.85 3hbl h ALA 352 N 0.79 1.47 0.00 1.67 0.00 -1.15 -2.39 119.26 119.64 3hbl h ALA 352 Ca 0.07 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3hbl h ALA 352 Cb 0.91 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3hbl h ALA 352 CO 0.08 0.29 0.00 0.00 0.00 0.00 0.00 179.25 179.63 3hbl n ALA 353 N -2.43 2.24 0.00 0.00 0.00 -0.67 -4.88 120.51 114.77 3hbl n ALA 353 Ca -0.02 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3hbl n ALA 353 Cb 0.30 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.30 3hbl n ALA 353 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hbl n GLY 354 N 1.28 1.10 3.73 0.00 0.00 -0.90 -4.38 105.19 106.02 3hbl n GLY 354 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 3hbl n GLY 354 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hbl s ALA 355 N -2.00 3.47 0.27 4.61 0.00 -0.03 -4.87 121.76 123.21 3hbl s ALA 355 Ca 0.00 1.00 -0.29 0.00 0.00 0.00 0.00 51.96 52.66 3hbl s ALA 355 Cb 0.00 -3.45 -0.09 0.00 0.00 0.00 0.00 23.12 19.58 3hbl s ALA 355 CO 0.00 -0.44 1.12 0.34 0.00 0.00 0.00 175.76 176.78 3hbl s ASP 356 N 0.36 7.22 0.21 0.00 -1.08 -1.26 -4.49 116.67 117.63 3hbl s ASP 356 Ca 0.55 2.30 -0.09 0.00 -0.52 0.00 0.00 52.55 54.79 3hbl s ASP 356 Cb -0.34 -2.63 0.28 0.00 -1.46 0.00 0.00 42.92 38.78 3hbl s ASP 356 CO 0.36 -0.19 1.75 -0.07 0.52 0.00 0.00 175.17 177.53 3hbl h LEU 357 N 3.91 0.24 -1.99 -1.34 3.38 -1.94 -2.25 115.31 115.32 3hbl h LEU 357 Ca -0.47 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.58 3hbl h LEU 357 Cb 1.21 0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.02 3hbl h LEU 357 CO 0.67 0.14 0.00 0.49 0.09 0.00 0.00 178.44 179.84 3hbl n PHE 357 N -4.99 0.79 -0.10 1.13 0.99 -1.26 -1.82 117.46 112.20 3hbl n PHE 357 Ca 0.09 -0.36 0.00 0.00 -0.00 0.00 0.00 57.45 57.18 3hbl n PHE 357 Cb 0.28 -0.06 0.00 0.00 -1.00 0.00 0.00 39.48 38.69 3hbl n PHE 357 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3hbl n GLY 357 N 1.16 -1.24 0.13 1.37 0.00 -0.85 -4.82 105.19 100.94 3hbl n GLY 357 Ca 0.17 -1.56 0.12 0.00 0.00 0.00 0.00 46.02 44.75 3hbl n GLY 357 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hbl n GLU 358 N -0.14 0.40 -0.09 1.61 -0.58 -1.26 -3.19 120.64 117.40 3hbl n GLU 358 Ca 0.00 -0.26 -0.13 0.00 -0.42 0.00 0.00 57.16 56.35 3hbl n GLU 358 Cb 0.00 -1.49 -0.06 0.00 -0.57 0.00 0.00 31.44 29.31 3hbl n GLU 358 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3hbl n GLU 359 N -1.07 0.51 0.02 3.49 4.71 -1.26 -4.56 120.64 122.46 3hbl n GLU 359 Ca 0.08 0.54 -0.18 0.00 -0.01 0.00 0.00 57.16 57.60 3hbl n GLU 359 Cb 0.35 -1.71 -0.08 0.00 -1.01 0.00 0.00 31.44 28.99 3hbl n GLU 359 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 3hbl h ILE 360 N -1.00 1.29 -5.22 -3.67 2.04 -1.78 -3.48 117.51 105.70 3hbl h ILE 360 Ca -0.17 -2.14 -0.35 0.00 1.00 0.00 0.00 64.86 63.19 3hbl h ILE 360 Cb 0.90 2.20 -0.07 0.00 -0.74 0.00 0.00 36.82 39.11 3hbl h ILE 360 CO -0.11 0.67 -0.52 0.59 0.00 0.00 0.00 178.15 178.78 3hbl n ASN 361 N -3.88 -3.73 -4.66 1.72 4.13 -1.17 -4.88 115.26 102.79 3hbl n ASN 361 Ca -0.09 -0.30 -0.52 0.00 1.68 0.00 0.00 54.58 55.36 3hbl n ASN 361 Cb 0.81 -3.10 -0.06 0.00 -1.54 0.00 0.00 39.78 35.89 3hbl n ASN 361 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 3hbl n MET 362 N -3.60 1.56 -1.55 3.52 2.81 -0.76 -4.92 117.12 114.19 3hbl n MET 362 Ca -0.03 0.57 -0.35 0.00 -1.81 0.00 0.00 57.70 56.07 3hbl n MET 362 Cb 0.55 -2.29 0.08 0.00 -0.71 0.00 0.00 33.22 30.85 3hbl n MET 362 CO 0.00 0.00 0.00 -2.14 1.51 0.00 0.00 175.97 175.34 3hbl s PRO 362 N 2.12 2.29 0.61 0.03 0.02 -1.26 -4.70 135.00 134.11 3hbl s PRO 362 Ca 0.89 1.87 -0.17 0.00 0.02 0.00 0.00 61.00 63.60 3hbl s PRO 362 Cb -0.88 -1.84 -0.02 0.00 0.02 0.00 0.00 34.50 31.78 3hbl s PRO 362 CO 0.51 -1.74 1.15 -1.14 -0.33 0.00 0.00 177.00 175.44 3hbl s GLN 363 N -3.70 2.96 0.20 5.54 2.00 -1.26 -4.71 119.66 120.69 3hbl s GLN 363 Ca 0.77 1.61 -0.19 0.00 -2.00 0.00 0.00 55.36 55.54 3hbl s GLN 363 Cb -0.32 -1.95 0.15 0.00 0.80 0.00 0.00 33.01 31.69 3hbl s GLN 363 CO 0.43 -1.16 1.59 0.37 -0.50 0.00 0.00 175.29 176.01 3hbl h GLN 364 N 0.60 -0.12 0.00 1.67 5.75 -1.95 0.33 115.11 121.39 3hbl h GLN 364 Ca -0.49 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.02 3hbl h GLN 364 Cb 1.27 0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.85 3hbl h GLN 364 CO 0.55 -0.08 0.00 1.63 -2.65 0.00 0.00 178.83 178.28 3hbl n LYS 365 N -5.44 0.53 0.00 1.69 5.02 -1.26 -1.50 118.16 117.19 3hbl n LYS 365 Ca 0.05 0.02 0.09 0.00 -2.02 0.00 0.00 58.31 56.46 3hbl n LYS 365 Cb 0.36 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.77 3hbl n LYS 365 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3hbl n ASP 366 N -1.06 1.02 -4.66 4.39 8.00 0.11 -4.86 116.55 119.50 3hbl n ASP 366 Ca 0.13 -1.01 -0.43 0.00 0.71 0.00 0.00 54.79 54.20 3hbl n ASP 366 Cb 0.08 0.96 -0.03 0.00 -0.02 0.00 0.00 41.12 42.11 3hbl n ASP 366 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3hbl s ILE 367 N -2.82 4.73 0.11 0.53 1.01 -0.57 -4.89 121.20 119.30 3hbl s ILE 367 Ca 0.08 1.88 0.01 0.00 0.00 0.00 0.00 60.65 62.62 3hbl s ILE 367 Cb 0.15 -4.25 -0.00 0.00 0.01 0.00 0.00 42.46 38.37 3hbl s ILE 367 CO 0.79 -0.14 0.02 0.35 0.00 0.00 0.00 174.94 175.96 3hbl n THR 368 N 5.27 0.00 -4.92 2.92 -2.24 -1.26 -5.01 114.28 109.04 3hbl n THR 368 Ca 0.10 -0.57 -0.33 0.00 -2.27 0.00 0.00 64.05 60.98 3hbl n THR 368 Cb 0.47 0.18 -0.14 0.00 -2.10 0.00 0.00 70.33 68.73 3hbl n THR 368 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3hbl s THR 369 N -1.75 2.87 -0.57 4.28 -4.23 -1.26 -4.16 115.64 110.82 3hbl s THR 369 Ca 0.03 -0.76 -0.06 0.00 -1.18 0.00 0.00 61.69 59.72 3hbl s THR 369 Cb 0.00 -2.14 0.15 0.00 1.34 0.00 0.00 72.50 71.85 3hbl s THR 369 CO 0.02 0.56 0.42 -0.22 -0.54 0.00 0.00 174.62 174.87 3hbl s LEU 370 N -0.21 5.61 0.00 4.79 2.96 -0.15 -5.01 118.68 126.67 3hbl s LEU 370 Ca 0.00 -2.41 0.00 0.00 -0.22 0.00 0.00 54.13 51.50 3hbl s LEU 370 Cb -0.13 -1.95 0.00 0.00 0.50 0.00 0.00 46.19 44.61 3hbl s LEU 370 CO 0.03 -0.53 0.00 0.61 -1.32 0.00 0.00 176.35 175.14 3hbl n GLY 371 N 4.17 0.02 3.22 7.98 0.00 -1.26 -4.72 105.19 114.59 3hbl n GLY 371 Ca 0.02 -0.96 -0.19 0.00 0.00 0.00 0.00 46.02 44.89 3hbl n GLY 371 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hbl s TYR 372 N 0.00 1.41 -0.01 1.61 1.51 -0.97 -4.69 117.35 116.21 3hbl s TYR 372 Ca 0.00 -0.49 0.03 0.00 -1.01 0.00 0.00 57.07 55.60 3hbl s TYR 372 Cb 0.00 -0.76 -0.00 0.00 -0.11 0.00 0.00 41.96 41.08 3hbl s TYR 372 CO 0.00 0.12 -0.09 0.00 -1.11 0.00 0.00 175.55 174.48 3hbl s ALA 373 N -1.58 0.79 -0.04 3.71 0.00 -1.26 -2.74 121.76 120.64 3hbl s ALA 373 Ca 0.04 -0.36 0.05 0.00 0.00 0.00 0.00 51.96 51.69 3hbl s ALA 373 Cb -0.08 -0.25 -0.01 0.00 0.00 0.00 0.00 23.12 22.79 3hbl s ALA 373 CO 0.03 0.16 -0.18 0.42 0.00 0.00 0.00 175.76 176.19 3hbl s ILE 374 N -0.03 1.50 0.13 0.00 1.01 -0.40 -0.09 121.20 123.33 3hbl s ILE 374 Ca 0.01 -0.77 0.11 0.00 0.00 0.00 0.00 60.65 59.99 3hbl s ILE 374 Cb -0.06 -1.27 -0.04 0.00 0.01 0.00 0.00 42.46 41.10 3hbl s ILE 374 CO -0.00 0.43 -0.26 -1.58 0.00 0.00 0.00 174.94 173.52 3hbl s GLN 375 N -0.13 1.38 0.22 2.79 0.74 -0.80 -0.61 119.66 123.24 3hbl s GLN 375 Ca -0.00 -1.34 -0.07 0.00 0.05 0.00 0.00 55.36 54.00 3hbl s GLN 375 Cb -0.10 -1.85 -0.02 0.00 1.10 0.00 0.00 33.01 32.13 3hbl s GLN 375 CO 0.01 0.44 0.31 0.00 -0.55 0.00 0.00 175.29 175.50 3hbl s ARG 377 N -4.08 1.70 -0.30 0.00 0.52 -1.26 -1.97 118.95 113.57 3hbl s ARG 377 Ca 0.30 -1.11 -0.09 0.00 -0.52 0.00 0.00 55.73 54.30 3hbl s ARG 377 Cb 0.03 -1.90 -0.02 0.00 0.52 0.00 0.00 34.95 33.59 3hbl s ARG 377 CO 0.10 0.49 0.14 0.42 0.02 0.00 0.00 175.30 176.46 3hbl s ILE 378 N -0.83 4.63 0.10 1.52 -1.09 -0.42 -4.90 121.20 120.20 3hbl s ILE 378 Ca 0.11 -0.31 0.08 0.00 -2.23 0.00 0.00 60.65 58.30 3hbl s ILE 378 Cb -0.10 -3.31 -0.03 0.00 -1.58 0.00 0.00 42.46 37.44 3hbl s ILE 378 CO 0.02 0.14 -0.20 0.42 -1.23 0.00 0.00 174.94 174.09 3hbl s THR 379 N 1.63 1.65 -2.00 2.92 -4.23 -1.26 -0.27 115.64 114.08 3hbl s THR 379 Ca 0.05 -1.51 0.12 0.00 -1.18 0.00 0.00 61.69 59.17 3hbl s THR 379 Cb -0.17 -1.51 0.34 0.00 1.34 0.00 0.00 72.50 72.51 3hbl s THR 379 CO 0.06 -0.06 1.13 0.35 -0.54 0.00 0.00 174.62 175.56 3hbl n THR 380 N 1.14 0.00 -1.93 3.99 -2.24 -1.26 -3.15 114.28 110.83 3hbl n THR 380 Ca -0.20 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.16 3hbl n THR 380 Cb 0.54 -0.66 -0.03 0.00 -2.10 0.00 0.00 70.33 68.08 3hbl n THR 380 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3hbl s GLU 381 N -2.00 4.21 -0.44 -0.78 2.02 -1.26 -0.03 118.70 120.42 3hbl s GLU 381 Ca 0.18 2.36 -0.17 0.00 0.02 0.00 0.00 54.97 57.36 3hbl s GLU 381 Cb 0.08 -3.22 0.03 0.00 0.10 0.00 0.00 34.13 31.12 3hbl s GLU 381 CO 0.14 -0.63 0.44 0.34 0.02 0.00 0.00 175.26 175.56 3hbl s ASP 382 N 1.35 6.18 0.54 -0.19 2.15 -1.11 -3.36 116.67 122.23 3hbl s ASP 382 Ca 0.71 -0.83 0.28 0.00 0.43 0.00 0.00 52.55 53.14 3hbl s ASP 382 Cb -0.43 -2.22 1.50 0.00 -0.30 0.00 0.00 42.92 41.47 3hbl s ASP 382 CO 0.31 -0.61 1.82 -0.65 -0.17 0.00 0.00 175.17 175.88 3hbl h PRO 383 N 8.75 0.00 -0.49 4.34 0.11 -1.93 -2.12 132.00 140.67 3hbl h PRO 383 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3hbl h PRO 383 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3hbl h PRO 383 CO 0.82 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.89 3hbl n LEU 384 N -2.65 2.51 -2.73 2.35 4.32 -1.26 -4.15 117.00 115.40 3hbl n LEU 384 Ca -0.02 -1.26 -0.03 0.00 -0.02 0.00 0.00 56.01 54.68 3hbl n LEU 384 Cb 0.27 -0.34 0.09 0.00 -1.62 0.00 0.00 43.42 41.82 3hbl n LEU 384 CO 0.12 0.54 0.34 -3.20 -1.22 0.00 0.00 177.39 173.97 3hbl n ASN 385 N 0.65 -0.25 -3.67 -1.43 5.15 -0.85 -4.99 115.26 109.86 3hbl n ASN 385 Ca 0.14 -2.23 -0.25 0.00 -0.60 0.00 0.00 54.58 51.64 3hbl n ASN 385 Cb 0.44 0.23 0.07 0.00 -0.53 0.00 0.00 39.78 39.99 3hbl n ASN 385 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 3hbl n ASP 386 N -0.97 -5.63 -3.44 1.20 2.03 -1.25 -3.49 116.55 104.99 3hbl n ASP 386 Ca -0.05 -0.61 -0.20 0.00 0.52 0.00 0.00 54.79 54.45 3hbl n ASP 386 Cb 0.84 -4.74 0.06 0.00 -0.72 0.00 0.00 41.12 36.57 3hbl n ASP 386 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 3hbl n PHE 387 N -4.87 -2.22 -3.18 -0.67 3.72 -0.88 -4.98 117.46 104.38 3hbl n PHE 387 Ca -0.01 0.77 -0.42 0.00 -0.05 0.00 0.00 57.45 57.74 3hbl n PHE 387 Cb 0.56 -4.12 -0.07 0.00 -0.94 0.00 0.00 39.48 34.91 3hbl n PHE 387 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 176.76 175.07 3hbl s MET 388 N -5.12 3.37 -0.79 -1.08 -1.94 -1.22 -4.61 119.30 107.91 3hbl s MET 388 Ca 0.34 -0.35 -0.26 0.00 -1.71 0.00 0.00 55.69 53.72 3hbl s MET 388 Cb -0.07 -3.90 -0.10 0.00 2.01 0.00 0.00 34.83 32.77 3hbl s MET 388 CO 0.78 -0.86 2.25 -2.14 -0.01 0.00 0.00 175.02 175.04 3hbl s PRO 389 N 2.57 1.97 0.23 2.03 0.02 -1.26 -2.73 135.00 137.83 3hbl s PRO 389 Ca 0.20 0.34 -0.32 0.00 0.02 0.00 0.00 61.00 61.24 3hbl s PRO 389 Cb -0.15 -4.83 -0.14 0.00 0.02 0.00 0.00 34.50 29.40 3hbl s PRO 389 CO 0.16 -3.96 1.41 -3.47 -0.33 0.00 0.00 177.00 170.81 3hbl n ASP 390 N 16.80 2.71 -4.28 2.53 4.64 0.96 -4.86 116.55 135.04 3hbl n ASP 390 Ca 0.43 1.14 -0.36 0.00 -1.38 0.00 0.00 54.79 54.61 3hbl n ASP 390 Cb 0.46 -1.42 -0.13 0.00 -1.04 0.00 0.00 41.12 38.99 3hbl n ASP 390 CO 0.00 0.00 0.00 -0.89 -0.82 0.00 0.00 177.20 175.49 3hbl s THR 391 N 0.02 3.56 0.00 5.18 2.01 -1.26 -4.85 115.64 120.30 3hbl s THR 391 Ca 0.69 -0.88 0.00 0.00 0.31 0.00 0.00 61.69 61.82 3hbl s THR 391 Cb -0.66 -2.86 0.00 0.00 0.01 0.00 0.00 72.50 68.99 3hbl s THR 391 CO 0.49 0.08 0.00 0.61 -0.69 0.00 0.00 174.62 175.11 3hbl n GLY 392 N 4.79 3.17 3.29 4.40 0.00 -1.26 -5.02 105.19 114.55 3hbl n GLY 392 Ca -0.15 -0.56 -0.30 0.00 0.00 0.00 0.00 46.02 45.01 3hbl n GLY 392 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hbl s THR 393 N -1.72 1.95 -0.14 2.61 2.01 -1.26 -1.18 115.64 117.92 3hbl s THR 393 Ca 0.00 -1.05 -0.29 0.00 0.31 0.00 0.00 61.69 60.65 3hbl s THR 393 Cb 0.00 -1.62 -0.01 0.00 0.01 0.00 0.00 72.50 70.88 3hbl s THR 393 CO 0.00 0.55 1.03 -0.63 -0.69 0.00 0.00 174.62 174.88 3hbl s ILE 394 N -0.55 4.72 -0.28 1.82 1.01 -1.26 -4.18 121.20 122.48 3hbl s ILE 394 Ca 0.09 2.01 0.04 0.00 0.00 0.00 0.00 60.65 62.78 3hbl s ILE 394 Cb -0.10 -4.29 -0.01 0.00 0.01 0.00 0.00 42.46 38.07 3hbl s ILE 394 CO -0.01 -0.05 0.32 2.30 0.00 0.00 0.00 174.94 177.50 3hbl n ILE 395 N 4.80 0.00 -3.65 2.92 -5.35 -1.04 -4.36 119.36 112.68 3hbl n ILE 395 Ca 0.10 -0.45 -0.06 0.00 -0.27 0.00 0.00 62.75 62.08 3hbl n ILE 395 Cb 0.48 1.03 -0.07 0.00 -1.74 0.00 0.00 39.64 39.34 3hbl n ILE 395 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3hbl s ALA 396 N -0.98 -1.73 -0.08 -1.28 0.00 -1.26 -4.61 121.76 111.83 3hbl s ALA 396 Ca 0.02 2.16 -0.03 0.00 0.00 0.00 0.00 51.96 54.12 3hbl s ALA 396 Cb 0.03 -1.46 0.04 0.00 0.00 0.00 0.00 23.12 21.73 3hbl s ALA 396 CO 0.11 -0.59 0.06 -0.47 0.00 0.00 0.00 175.76 174.87 3hbl s TYR 397 N 2.13 0.25 -0.34 0.00 6.14 -1.26 -2.32 117.35 121.95 3hbl s TYR 397 Ca -0.08 -0.01 0.03 0.00 0.64 0.00 0.00 57.07 57.65 3hbl s TYR 397 Cb -0.09 -0.62 0.10 0.00 0.42 0.00 0.00 41.96 41.78 3hbl s TYR 397 CO -0.18 -0.31 0.06 1.03 0.64 0.00 0.00 175.55 176.79 3hbl s ARG 398 N 2.11 1.58 0.68 4.97 3.00 0.03 -4.90 118.95 126.42 3hbl s ARG 398 Ca 0.04 -1.84 -0.11 0.00 0.00 0.00 0.00 55.73 53.82 3hbl s ARG 398 Cb -0.13 -3.23 -0.00 0.00 0.00 0.00 0.00 34.95 31.58 3hbl s ARG 398 CO -0.05 -0.93 1.07 -1.54 0.00 0.00 0.00 175.30 173.85 3hbl s SER 399 N 1.01 5.68 -0.09 0.23 1.04 -1.26 -2.25 113.70 118.06 3hbl s SER 399 Ca 0.09 1.28 -0.06 0.00 0.48 0.00 0.00 55.95 57.75 3hbl s SER 399 Cb -0.19 -2.18 -0.02 0.00 0.10 0.00 0.00 66.02 63.73 3hbl s SER 399 CO -0.07 -1.21 -0.11 0.77 0.98 0.00 0.00 173.24 173.59 3hbl h SER 400 N -0.56 0.00 -3.96 7.02 4.64 -1.87 -3.47 113.55 115.35 3hbl h SER 400 Ca -0.45 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 60.89 3hbl h SER 400 Cb 1.23 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.31 3hbl h SER 400 CO 0.62 0.49 -0.19 0.61 -0.87 0.00 0.00 176.83 177.49 3hbl n GLY 401 N 1.67 -2.95 0.00 -0.77 0.00 -1.26 -5.10 105.19 96.77 3hbl n GLY 401 Ca -0.05 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.71 3hbl n GLY 401 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hbl n GLY 402 N -1.90 2.88 3.69 -0.02 0.00 -1.26 -4.98 105.19 103.59 3hbl n GLY 402 Ca -0.00 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.80 3hbl n GLY 402 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3hbl s PHE 403 N -2.00 2.58 -0.03 1.61 2.19 -1.26 -1.41 117.98 119.65 3hbl s PHE 403 Ca 0.00 0.48 0.00 0.00 0.33 0.00 0.00 56.93 57.74 3hbl s PHE 403 Cb 0.00 -3.88 0.00 0.00 -1.31 0.00 0.00 43.02 37.83 3hbl s PHE 403 CO 0.00 -3.44 0.00 0.41 1.83 0.00 0.00 175.22 174.02 3hbl n GLY 404 N 3.88 0.47 3.57 13.12 0.00 -1.26 -4.92 105.19 120.05 3hbl n GLY 404 Ca 0.15 -0.29 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 3hbl n GLY 404 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hbl s VAL 405 N -1.97 3.59 -0.09 1.61 1.01 -0.50 -0.90 120.40 123.15 3hbl s VAL 405 Ca 0.00 -0.59 -0.01 0.00 0.00 0.00 0.00 61.98 61.38 3hbl s VAL 405 Cb 0.00 -2.48 0.03 0.00 0.00 0.00 0.00 36.38 33.92 3hbl s VAL 405 CO 0.00 0.55 -0.03 -0.60 0.00 0.00 0.00 175.10 175.02 3hbl s ARG 406 N -0.95 0.97 -0.20 2.72 6.06 0.14 -4.64 118.95 123.05 3hbl s ARG 406 Ca 0.13 -0.04 -0.05 0.00 -2.50 0.00 0.00 55.73 53.28 3hbl s ARG 406 Cb -0.11 -1.21 -0.02 0.00 0.06 0.00 0.00 34.95 33.67 3hbl s ARG 406 CO 0.03 -0.28 -0.01 -0.51 -2.50 0.00 0.00 175.30 172.03 3hbl s LEU 407 N 1.84 3.18 -0.48 -0.88 1.43 -1.26 -0.86 118.68 121.65 3hbl s LEU 407 Ca 0.05 -0.24 0.01 0.00 -1.03 0.00 0.00 54.13 52.91 3hbl s LEU 407 Cb -0.12 -1.81 0.13 0.00 0.03 0.00 0.00 46.19 44.42 3hbl s LEU 407 CO -0.06 0.05 0.24 -1.81 0.23 0.00 0.00 176.35 174.99 3hbl s ASP 408 N 1.10 4.84 -0.13 2.29 1.11 -0.48 -5.01 116.67 120.39 3hbl s ASP 408 Ca 0.02 -2.57 -0.29 0.00 0.18 0.00 0.00 52.55 49.89 3hbl s ASP 408 Cb -0.14 -1.73 -0.01 0.00 1.07 0.00 0.00 42.92 42.11 3hbl s ASP 408 CO 0.01 -0.36 1.11 0.00 1.18 0.00 0.00 175.17 177.10 3hbl s ALA 409 N 0.34 3.54 0.00 5.23 0.00 -1.26 -1.97 121.76 127.65 3hbl s ALA 409 Ca 0.14 0.40 0.00 0.00 0.00 0.00 0.00 51.96 52.50 3hbl s ALA 409 Cb -0.22 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.38 3hbl s ALA 409 CO -0.04 -0.85 0.00 0.41 0.00 0.00 0.00 175.76 175.28 3hbl n GLY 410 N 3.31 -0.18 1.28 0.00 0.00 -0.72 -3.94 105.19 104.93 3hbl n GLY 410 Ca 0.11 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.23 3hbl n GLY 410 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hbl n ASP 411 N -0.80 4.03 -4.12 1.61 8.00 0.12 -4.72 116.55 120.67 3hbl n ASP 411 Ca 0.00 -2.20 -0.35 0.00 0.71 0.00 0.00 54.79 52.95 3hbl n ASP 411 Cb 0.00 -0.47 -0.12 0.00 -0.02 0.00 0.00 41.12 40.50 3hbl n ASP 411 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3hbl s GLY 412 N -1.02 1.94 0.22 0.44 0.00 -0.87 -4.86 107.32 103.17 3hbl s GLY 412 Ca 0.45 -2.40 -0.03 0.00 0.00 0.00 0.00 44.72 42.74 3hbl s GLY 412 CO 0.26 0.96 0.34 1.97 0.00 0.00 0.00 173.10 176.62 3hbl n PHE 413 N 4.55 -1.21 -0.02 1.90 1.16 -1.26 -4.94 117.46 117.64 3hbl n PHE 413 Ca -0.03 -1.38 -0.09 0.00 -1.87 0.00 0.00 57.45 54.07 3hbl n PHE 413 Cb 0.42 0.38 -0.03 0.00 -1.61 0.00 0.00 39.48 38.64 3hbl n PHE 413 CO 0.00 0.00 0.00 1.96 -1.87 0.00 0.00 176.76 176.85 3hbl h GLN 414 N 0.00 -0.29 0.00 3.97 1.08 -1.90 -3.44 115.11 114.53 3hbl h GLN 414 Ca -0.17 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.05 3hbl h GLN 414 Cb 0.73 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 28.23 3hbl h GLN 414 CO 0.23 -0.19 0.00 0.41 -0.95 0.00 0.00 178.83 178.33 3hbl n GLY 415 N -1.38 -0.13 3.49 3.46 0.00 -1.26 -4.22 105.19 105.14 3hbl n GLY 415 Ca -0.02 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.52 3hbl n GLY 415 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hbl n ALA 416 N -3.00 -1.88 -1.51 4.61 0.00 -1.26 -4.00 120.51 113.47 3hbl n ALA 416 Ca 0.00 0.44 -0.29 0.00 0.00 0.00 0.00 53.44 53.59 3hbl n ALA 416 Cb 0.00 -1.80 0.16 0.00 0.00 0.00 0.00 19.45 17.82 3hbl n ALA 416 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 3hbl s GLU 417 N -1.00 0.59 -0.15 0.00 -1.05 -1.26 -4.43 118.70 111.39 3hbl s GLU 417 Ca 0.66 0.10 -0.03 0.00 -0.15 0.00 0.00 54.97 55.55 3hbl s GLU 417 Cb -0.88 -1.79 -0.03 0.00 -0.44 0.00 0.00 34.13 30.99 3hbl s GLU 417 CO 0.57 -2.54 -0.04 0.42 0.95 0.00 0.00 175.26 174.62 3hbl s ILE 418 N -3.33 3.86 0.22 1.83 1.01 -0.32 -4.98 121.20 119.49 3hbl s ILE 418 Ca 0.67 -0.37 -0.16 0.00 0.00 0.00 0.00 60.65 60.79 3hbl s ILE 418 Cb -0.12 -2.68 -0.08 0.00 0.01 0.00 0.00 42.46 39.59 3hbl s ILE 418 CO 0.54 0.50 0.65 -0.94 0.00 0.00 0.00 174.94 175.69 3hbl s SER 419 N 0.29 6.86 0.00 3.58 1.04 -1.26 -4.18 113.70 120.04 3hbl s SER 419 Ca -0.04 1.21 0.13 0.00 0.48 0.00 0.00 55.95 57.74 3hbl s SER 419 Cb -0.14 -2.34 0.71 0.00 0.10 0.00 0.00 66.02 64.35 3hbl s SER 419 CO 0.03 -0.01 1.47 -0.81 0.98 0.00 0.00 173.24 174.90 3hbl n PRO 420 N 0.39 1.15 0.00 4.02 -0.05 -1.26 -4.11 135.00 135.14 3hbl n PRO 420 Ca -0.02 -0.23 0.12 0.00 -0.05 0.00 0.00 63.50 63.33 3hbl n PRO 420 Cb 0.52 -1.23 0.27 0.00 -0.05 0.00 0.00 33.50 33.01 3hbl n PRO 420 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 175.50 176.11 3hbl n TYR 421 N -0.48 0.00 -4.28 0.54 4.02 -1.26 -4.84 117.16 110.87 3hbl n TYR 421 Ca 0.10 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.77 3hbl n TYR 421 Cb 0.10 -0.18 -0.12 0.00 -0.02 0.00 0.00 39.34 39.11 3hbl n TYR 421 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 3hbl s TYR 422 N -2.81 1.71 0.23 -0.72 1.51 -1.26 -4.72 117.35 111.29 3hbl s TYR 422 Ca 0.16 -0.43 -0.32 0.00 -1.01 0.00 0.00 57.07 55.47 3hbl s TYR 422 Cb 0.18 -0.93 -0.13 0.00 -0.11 0.00 0.00 41.96 40.97 3hbl s TYR 422 CO 0.64 0.20 1.52 -0.40 -1.11 0.00 0.00 175.55 176.40 3hbl n ASP 423 N 0.99 3.19 -4.57 2.29 3.85 -1.26 -4.85 116.55 116.19 3hbl n ASP 423 Ca -0.19 1.12 -0.39 0.00 -0.71 0.00 0.00 54.79 54.62 3hbl n ASP 423 Cb 0.54 -1.48 -0.03 0.00 -1.35 0.00 0.00 41.12 38.80 3hbl n ASP 423 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 3hbl s SER 424 N 0.54 5.26 -0.31 -1.12 1.04 -1.26 -4.95 113.70 112.90 3hbl s SER 424 Ca 0.70 0.88 0.01 0.00 0.48 0.00 0.00 55.95 58.02 3hbl s SER 424 Cb -0.61 -2.52 0.09 0.00 0.10 0.00 0.00 66.02 63.09 3hbl s SER 424 CO 0.45 -2.28 0.06 -0.22 0.98 0.00 0.00 173.24 172.23 3hbl s LEU 425 N 9.15 3.29 -0.08 2.42 2.96 -1.26 -4.32 118.68 130.85 3hbl s LEU 425 Ca 0.80 -1.77 -0.01 0.00 -0.22 0.00 0.00 54.13 52.92 3hbl s LEU 425 Cb -0.18 -1.21 -0.01 0.00 0.50 0.00 0.00 46.19 45.29 3hbl s LEU 425 CO 0.26 -0.37 0.06 -0.07 -1.32 0.00 0.00 176.35 174.91 3hbl h LEU 426 N 7.88 -0.04 -7.50 -0.68 3.38 -0.97 0.33 115.31 117.71 3hbl h LEU 426 Ca -0.10 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.72 3hbl h LEU 426 Cb 1.03 0.01 -0.24 0.00 0.09 0.00 0.00 40.66 41.55 3hbl h LEU 426 CO 0.48 0.37 -0.39 -0.69 0.09 0.00 0.00 178.44 178.30 3hbl s VAL 427 N -1.60 0.02 -0.25 1.22 1.01 -1.21 -1.76 120.40 117.83 3hbl s VAL 427 Ca -0.01 -0.18 -0.14 0.00 0.00 0.00 0.00 61.98 61.65 3hbl s VAL 427 Cb 0.00 -0.43 -0.04 0.00 0.00 0.00 0.00 36.38 35.91 3hbl s VAL 427 CO 0.02 -0.10 0.35 -0.75 0.00 0.00 0.00 175.10 174.62 3hbl s LYS 428 N -0.32 4.05 -0.10 2.72 2.20 -0.83 -1.30 119.74 126.16 3hbl s LYS 428 Ca -0.04 0.02 0.01 0.00 -0.36 0.00 0.00 55.97 55.60 3hbl s LYS 428 Cb -0.03 -3.62 -0.02 0.00 -1.51 0.00 0.00 37.83 32.65 3hbl s LYS 428 CO 0.01 -0.19 -0.13 -1.17 -0.36 0.00 0.00 175.35 173.52 3hbl s LEU 429 N 1.79 2.75 -0.02 5.43 2.96 -0.83 -1.38 118.68 129.37 3hbl s LEU 429 Ca 0.15 -0.27 0.00 0.00 -0.22 0.00 0.00 54.13 53.79 3hbl s LEU 429 Cb -0.15 -1.60 0.02 0.00 0.50 0.00 0.00 46.19 44.96 3hbl s LEU 429 CO 0.09 0.23 0.01 -0.44 -1.32 0.00 0.00 176.35 174.93 3hbl s SER 430 N -0.04 0.18 0.17 3.68 0.01 -0.04 -1.88 113.70 115.79 3hbl s SER 430 Ca -0.03 0.01 0.10 0.00 1.31 0.00 0.00 55.95 57.34 3hbl s SER 430 Cb -0.14 -0.11 -0.04 0.00 0.21 0.00 0.00 66.02 65.94 3hbl s SER 430 CO 0.04 -0.10 -0.21 0.42 0.41 0.00 0.00 173.24 173.80 3hbl s THR 431 N 0.88 2.03 -0.21 1.44 -4.23 0.22 0.24 115.64 116.02 3hbl s THR 431 Ca -0.08 -1.95 -0.09 0.00 -1.18 0.00 0.00 61.69 58.39 3hbl s THR 431 Cb -0.11 -1.94 0.08 0.00 1.34 0.00 0.00 72.50 71.87 3hbl s THR 431 CO -0.02 -0.22 0.47 -2.28 -0.54 0.00 0.00 174.62 172.03 3hbl s HIS 432 N -1.85 -0.82 0.11 3.99 5.04 -0.08 -1.27 115.29 120.41 3hbl s HIS 432 Ca 0.17 1.60 -0.26 0.00 -1.54 0.00 0.00 55.06 55.04 3hbl s HIS 432 Cb -0.07 0.38 0.07 0.00 0.04 0.00 0.00 32.58 33.01 3hbl s HIS 432 CO 0.08 -0.46 0.85 0.00 -2.34 0.00 0.00 174.74 172.87 3hbl s ALA 433 N 2.12 -1.65 0.30 1.58 0.00 -1.11 -4.61 121.76 118.39 3hbl s ALA 433 Ca -0.06 0.43 0.19 0.00 0.00 0.00 0.00 51.96 52.52 3hbl s ALA 433 Cb -0.10 0.62 1.06 0.00 0.00 0.00 0.00 23.12 24.71 3hbl s ALA 433 CO -0.14 -0.88 1.20 -0.89 0.00 0.00 0.00 175.76 175.05 3hbl n ILE 434 N -0.38 -0.28 -4.11 0.00 5.41 -1.26 -2.29 119.36 116.45 3hbl n ILE 434 Ca -0.08 1.50 -0.08 0.00 1.00 0.00 0.00 62.75 65.08 3hbl n ILE 434 Cb 0.61 -2.44 -0.10 0.00 -0.71 0.00 0.00 39.64 37.01 3hbl n ILE 434 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 3hbl s SER 435 N -4.55 0.65 0.45 4.38 1.04 -1.26 -4.20 113.70 110.21 3hbl s SER 435 Ca -0.06 -1.00 0.11 0.00 0.48 0.00 0.00 55.95 55.47 3hbl s SER 435 Cb 0.25 0.17 1.00 0.00 0.10 0.00 0.00 66.02 67.55 3hbl s SER 435 CO 0.60 -0.57 2.08 0.15 0.98 0.00 0.00 173.24 176.48 3hbl h PHE 436 N 3.10 0.30 -0.62 5.02 3.57 -1.89 -1.18 116.94 125.25 3hbl h PHE 436 Ca -0.34 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.10 3hbl h PHE 436 Cb 1.15 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.76 3hbl h PHE 436 CO 0.54 0.21 0.13 1.57 -2.23 0.00 0.00 178.31 178.54 3hbl h LYS 437 N 0.32 1.00 0.12 1.11 2.10 -1.95 -1.49 116.57 117.79 3hbl h LYS 437 Ca 0.08 -0.25 -0.28 0.00 -2.00 0.00 0.00 60.65 58.21 3hbl h LYS 437 Cb 0.01 -0.13 0.01 0.00 -0.90 0.00 0.00 32.23 31.22 3hbl h LYS 437 CO -0.01 0.92 -1.21 1.96 -2.00 0.00 0.00 179.45 179.10 3hbl h GLN 438 N 0.92 0.38 -0.15 0.07 4.20 -1.67 -2.51 115.11 116.35 3hbl h GLN 438 Ca 0.19 -0.57 -0.17 0.00 0.06 0.00 0.00 58.65 58.16 3hbl h GLN 438 Cb 0.38 0.20 -0.00 0.00 0.30 0.00 0.00 27.48 28.36 3hbl h GLN 438 CO 0.01 1.25 -0.63 0.00 -0.67 0.00 0.00 178.83 178.79 3hbl h ALA 439 N 0.52 0.63 -0.60 3.87 0.00 -1.32 -1.16 119.26 121.20 3hbl h ALA 439 Ca -0.15 -0.55 -0.00 0.00 0.00 0.00 0.00 54.91 54.21 3hbl h ALA 439 Cb 1.91 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.60 3hbl h ALA 439 CO 0.21 0.71 0.36 1.49 0.00 0.00 0.00 179.25 182.02 3hbl h GLU 440 N 0.39 0.81 0.00 0.00 4.22 -1.29 -0.47 114.58 118.23 3hbl h GLU 440 Ca -0.01 -0.07 0.00 0.00 0.08 0.00 0.00 59.36 59.36 3hbl h GLU 440 Cb 1.19 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.27 3hbl h GLU 440 CO 0.12 0.58 -0.14 -0.85 -2.18 0.00 0.00 179.01 176.53 3hbl n GLU 441 N -4.62 0.00 0.10 1.92 0.28 -0.95 -2.42 120.64 114.96 3hbl n GLU 441 Ca 0.04 0.00 -0.16 0.00 -0.16 0.00 0.00 57.16 56.88 3hbl n GLU 441 Cb 0.05 -1.50 -0.13 0.00 1.43 0.00 0.00 31.44 31.29 3hbl n GLU 441 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 177.13 176.75 3hbl h LYS 442 N 0.00 0.29 0.22 3.44 3.64 -0.73 -3.23 116.57 120.20 3hbl h LYS 442 Ca 0.00 -0.49 -0.01 0.00 -1.27 0.00 0.00 60.65 58.88 3hbl h LYS 442 Cb 0.50 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 3hbl h LYS 442 CO 0.00 1.22 -0.11 1.98 -2.27 0.00 0.00 179.45 180.28 3hbl h MET 443 N 0.09 -0.29 -0.08 1.90 4.05 -0.83 -2.61 114.93 117.16 3hbl h MET 443 Ca -0.14 0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.30 3hbl h MET 443 Cb 1.95 0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 32.81 3hbl h MET 443 CO 0.20 0.08 0.02 -0.39 0.23 0.00 0.00 176.91 177.06 3hbl h VAL 444 N -0.75 1.05 -0.17 -5.77 -1.51 -1.65 0.16 116.25 107.61 3hbl h VAL 444 Ca -0.03 -0.16 -0.03 0.00 -1.23 0.00 0.00 66.70 65.25 3hbl h VAL 444 Cb 0.50 0.96 -0.01 0.00 -2.13 0.00 0.00 31.29 30.62 3hbl h VAL 444 CO 0.05 0.06 -0.00 -0.09 -1.23 0.00 0.00 177.57 176.35 3hbl h ARG 445 N 0.12 0.30 -0.13 5.19 9.65 -1.57 0.52 114.38 128.45 3hbl h ARG 445 Ca 0.03 -0.10 -0.13 0.00 -1.10 0.00 0.00 59.98 58.69 3hbl h ARG 445 Cb 0.05 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.59 3hbl h ARG 445 CO -0.00 0.52 -0.49 0.66 2.80 0.00 0.00 179.97 183.46 3hbl h SER 446 N 0.04 0.36 -0.79 -3.80 4.64 -1.02 -2.42 113.55 110.56 3hbl h SER 446 Ca 0.05 -0.17 -0.04 0.00 -0.47 0.00 0.00 61.79 61.15 3hbl h SER 446 Cb 0.39 -0.10 -0.04 0.00 -0.31 0.00 0.00 62.40 62.34 3hbl h SER 446 CO 0.01 0.79 0.34 -0.07 -0.87 0.00 0.00 176.83 177.03 3hbl h LEU 447 N 0.26 1.08 -0.67 5.97 3.38 -0.58 -2.19 115.31 122.57 3hbl h LEU 447 Ca 0.01 -0.15 -0.11 0.00 0.09 0.00 0.00 57.88 57.72 3hbl h LEU 447 Cb 0.96 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 3hbl h LEU 447 CO 0.08 0.94 -0.52 0.03 0.09 0.00 0.00 178.44 179.05 3hbl h ARG 448 N 1.15 0.00 0.00 1.13 3.08 -0.66 -2.68 114.38 116.40 3hbl h ARG 448 Ca 0.27 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.20 3hbl h ARG 448 Cb 0.18 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 3hbl h ARG 448 CO -0.03 0.52 -0.57 0.93 -1.07 0.00 0.00 179.97 179.75 3hbl h GLU 449 N 0.00 0.00 -6.55 0.04 5.08 -1.35 -3.45 114.58 108.35 3hbl h GLU 449 Ca -0.01 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.81 3hbl h GLU 449 Cb 1.11 0.00 0.05 0.00 0.50 0.00 0.00 28.75 30.41 3hbl h GLU 449 CO 0.07 0.57 0.98 -1.33 -1.00 0.00 0.00 179.01 178.30 3hbl n MET 450 N -3.54 2.54 -3.63 2.33 2.81 -0.83 -4.81 117.12 111.99 3hbl n MET 450 Ca -0.00 0.92 -0.22 0.00 -1.81 0.00 0.00 57.70 56.59 3hbl n MET 450 Cb 0.65 -2.76 -0.17 0.00 -0.71 0.00 0.00 33.22 30.23 3hbl n MET 450 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 3hbl s ARG 451 N 1.68 0.01 0.00 0.03 0.52 -0.95 -5.01 118.95 115.23 3hbl s ARG 451 Ca 0.79 0.22 0.05 0.00 -0.52 0.00 0.00 55.73 56.28 3hbl s ARG 451 Cb -0.57 -1.01 -0.02 0.00 0.52 0.00 0.00 34.95 33.87 3hbl s ARG 451 CO 0.37 -0.48 -0.17 0.42 0.02 0.00 0.00 175.30 175.46 3hbl s ILE 452 N 2.19 1.35 0.05 1.52 1.01 -1.26 -0.79 121.20 125.27 3hbl s ILE 452 Ca 0.04 -0.83 -0.05 0.00 0.00 0.00 0.00 60.65 59.81 3hbl s ILE 452 Cb -0.14 -1.15 -0.02 0.00 0.01 0.00 0.00 42.46 41.17 3hbl s ILE 452 CO -0.06 0.30 0.08 -0.13 0.00 0.00 0.00 174.94 175.13 3hbl s ARG 453 N -0.61 0.61 0.00 2.79 0.52 -0.98 -4.82 118.95 116.46 3hbl s ARG 453 Ca 0.06 -0.86 0.00 0.00 -0.52 0.00 0.00 55.73 54.41 3hbl s ARG 453 Cb -0.07 0.23 0.00 0.00 0.52 0.00 0.00 34.95 35.64 3hbl s ARG 453 CO -0.00 -0.15 0.00 0.41 0.02 0.00 0.00 175.30 175.58 3hbl n GLY 454 N 0.58 3.15 3.14 -3.53 0.00 -1.26 -2.49 105.19 104.78 3hbl n GLY 454 Ca -0.18 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.75 3hbl n GLY 454 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hbl s VAL 455 N -2.91 0.24 0.12 1.61 -7.23 -1.26 -4.21 120.40 106.76 3hbl s VAL 455 Ca 0.00 -1.88 -0.06 0.00 -1.81 0.00 0.00 61.98 58.23 3hbl s VAL 455 Cb 0.00 -1.82 -0.06 0.00 0.56 0.00 0.00 36.38 35.06 3hbl s VAL 455 CO 0.00 -0.70 0.38 -0.54 -0.31 0.00 0.00 175.10 173.92 3hbl s LYS 456 N -3.97 3.65 0.27 4.82 1.02 -1.26 -4.99 119.74 119.28 3hbl s LYS 456 Ca 0.17 -0.03 0.06 0.00 0.02 0.00 0.00 55.97 56.19 3hbl s LYS 456 Cb 0.07 -2.89 -0.06 0.00 -0.52 0.00 0.00 37.83 34.44 3hbl s LYS 456 CO -0.03 0.50 -0.04 0.95 -0.92 0.00 0.00 175.35 175.80 3hbl s THR 457 N -1.58 1.52 -0.51 2.17 -4.23 -1.26 -4.35 115.64 107.39 3hbl s THR 457 Ca 0.38 -2.10 0.06 0.00 -1.18 0.00 0.00 61.69 58.86 3hbl s THR 457 Cb -0.13 -2.45 0.43 0.00 1.34 0.00 0.00 72.50 71.69 3hbl s THR 457 CO 0.23 -0.29 1.25 -0.46 -0.54 0.00 0.00 174.62 174.81 3hbl n ASN 458 N -0.56 3.54 0.15 3.99 6.94 -1.19 -4.57 115.26 123.57 3hbl n ASN 458 Ca -0.05 -2.59 -0.14 0.00 -0.02 0.00 0.00 54.58 51.78 3hbl n ASN 458 Cb 0.64 -0.62 -0.08 0.00 -2.36 0.00 0.00 39.78 37.35 3hbl n ASN 458 CO 0.00 0.00 0.00 0.40 -1.03 0.00 0.00 177.26 176.63 3hbl h ILE 459 N 1.81 0.75 0.00 1.53 2.04 -1.91 -2.91 117.51 118.82 3hbl h ILE 459 Ca 0.08 -0.47 -0.03 0.00 1.00 0.00 0.00 64.86 65.43 3hbl h ILE 459 Cb 1.47 1.01 -0.00 0.00 -0.74 0.00 0.00 36.82 38.55 3hbl h ILE 459 CO 0.34 0.10 -0.14 -0.65 0.00 0.00 0.00 178.15 177.80 3hbl h PRO 460 N -0.64 0.00 0.55 2.37 0.11 -1.96 -2.20 132.00 130.24 3hbl h PRO 460 Ca -0.04 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.05 3hbl h PRO 460 Cb 0.45 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.55 3hbl h PRO 460 CO 0.06 0.14 -0.45 0.35 -0.21 0.00 0.00 178.00 177.90 3hbl h PHE 461 N 0.00 -1.21 -1.00 0.65 3.57 -1.82 -1.52 116.94 115.61 3hbl h PHE 461 Ca -0.00 0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.58 3hbl h PHE 461 Cb 0.26 0.46 -0.07 0.00 2.79 0.00 0.00 35.95 39.39 3hbl h PHE 461 CO 0.00 -0.63 0.64 -0.07 -2.23 0.00 0.00 178.31 176.02 3hbl h LEU 462 N -0.98 1.01 -0.16 0.59 3.38 -1.30 -1.39 115.31 116.46 3hbl h LEU 462 Ca -0.06 0.02 0.05 0.00 0.09 0.00 0.00 57.88 57.97 3hbl h LEU 462 Cb 0.83 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 41.33 3hbl h LEU 462 CO -0.00 0.63 -0.19 0.40 0.09 0.00 0.00 178.44 179.36 3hbl h ILE 463 N 1.14 0.50 -0.91 1.22 2.04 -1.08 0.13 117.51 120.55 3hbl h ILE 463 Ca 0.44 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.38 3hbl h ILE 463 Cb 0.23 0.50 -0.07 0.00 -0.74 0.00 0.00 36.82 36.75 3hbl h ILE 463 CO -0.19 0.00 0.57 0.78 0.00 0.00 0.00 178.15 179.31 3hbl h ASN 464 N -0.23 0.89 0.33 1.72 2.35 -0.58 -1.57 115.58 118.50 3hbl h ASN 464 Ca 0.11 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.87 3hbl h ASN 464 Cb 0.39 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 3hbl h ASN 464 CO -0.30 0.56 -0.22 0.58 -1.65 0.00 0.00 177.43 176.40 3hbl h VAL 465 N 1.02 0.53 0.06 2.81 2.07 -0.19 -2.31 116.25 120.24 3hbl h VAL 465 Ca 0.41 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.93 3hbl h VAL 465 Cb 0.22 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 3hbl h VAL 465 CO -0.19 0.00 -0.07 0.24 0.02 0.00 0.00 177.57 177.57 3hbl h MET 466 N -0.54 -0.14 -0.54 1.57 2.86 -0.54 -2.40 114.93 115.20 3hbl h MET 466 Ca -0.03 0.01 0.16 0.00 -2.06 0.00 0.00 59.70 57.77 3hbl h MET 466 Cb 0.46 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.13 3hbl h MET 466 CO 0.02 -0.10 0.39 0.87 1.06 0.00 0.00 176.91 179.15 3hbl h LYS 467 N -0.15 0.01 -6.49 1.72 1.79 -1.30 -3.42 116.57 108.74 3hbl h LYS 467 Ca 0.01 -0.00 -0.54 0.00 -2.18 0.00 0.00 60.65 57.94 3hbl h LYS 467 Cb 0.15 -0.00 0.04 0.00 -1.58 0.00 0.00 32.23 30.84 3hbl h LYS 467 CO -0.03 0.00 1.09 -1.71 -1.08 0.00 0.00 179.45 177.73 3hbl n ASN 468 N -4.38 3.94 0.18 0.86 2.85 -0.87 -4.89 115.26 112.95 3hbl n ASN 468 Ca 0.10 0.99 0.06 0.00 -0.11 0.00 0.00 54.58 55.62 3hbl n ASN 468 Cb 0.61 -1.52 0.56 0.00 1.24 0.00 0.00 39.78 40.67 3hbl n ASN 468 CO 0.00 0.00 0.00 0.50 -2.11 0.00 0.00 177.26 175.65 3hbl h LYS 469 N 8.45 0.16 0.00 1.20 3.64 -1.88 -1.73 116.57 126.42 3hbl h LYS 469 Ca -0.46 -0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 58.77 3hbl h LYS 469 Cb 1.23 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.99 3hbl h LYS 469 CO 0.94 0.13 -0.64 0.87 -2.27 0.00 0.00 179.45 178.48 3hbl h LYS 470 N 0.17 0.00 -0.11 1.90 1.57 -1.94 0.14 116.57 118.30 3hbl h LYS 470 Ca 0.04 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.73 3hbl h LYS 470 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 3hbl h LYS 470 CO -0.01 0.64 -0.29 0.35 -0.57 0.00 0.00 179.45 179.58 3hbl h PHE 471 N 0.00 0.49 0.00 -1.35 3.04 -1.65 -3.14 116.94 114.33 3hbl h PHE 471 Ca -0.01 -0.19 -0.06 0.00 3.98 0.00 0.00 57.97 61.69 3hbl h PHE 471 Cb 1.20 -0.09 -0.01 0.00 2.56 0.00 0.00 35.95 39.61 3hbl h PHE 471 CO 0.00 0.90 -0.27 1.15 -2.02 0.00 0.00 178.31 178.07 3hbl h THR 472 N -0.05 0.94 -0.75 4.41 2.02 -1.27 -2.60 112.91 115.60 3hbl h THR 472 Ca -0.01 -1.03 0.06 0.00 0.77 0.00 0.00 66.41 66.21 3hbl h THR 472 Cb 0.90 1.60 -0.06 0.00 -1.74 0.00 0.00 68.15 68.85 3hbl h THR 472 CO 0.06 0.27 0.44 -1.28 0.37 0.00 0.00 175.52 175.38 3hbl h SER 473 N 0.00 0.68 0.00 4.18 0.87 -0.72 -3.47 113.55 115.08 3hbl h SER 473 Ca -0.00 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 3hbl h SER 473 Cb 0.58 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.42 3hbl h SER 473 CO 0.04 0.43 0.00 0.61 -0.53 0.00 0.00 176.83 177.38 3hbl n GLY 474 N -1.31 1.58 0.00 5.77 0.00 -0.98 -4.80 105.19 105.45 3hbl n GLY 474 Ca 0.10 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.26 3hbl n GLY 474 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hbl n ASP 475 N 0.00 0.00 -4.73 1.61 2.03 -1.26 -4.64 116.55 109.56 3hbl n ASP 475 Ca 0.00 -0.77 -0.32 0.00 0.52 0.00 0.00 54.79 54.22 3hbl n ASP 475 Cb 0.00 -0.04 0.11 0.00 -0.72 0.00 0.00 41.12 40.46 3hbl n ASP 475 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 3hbl s TYR 476 N -2.08 2.21 0.17 -0.67 1.13 -1.26 -5.08 117.35 111.77 3hbl s TYR 476 Ca 0.40 1.63 0.01 0.00 -1.41 0.00 0.00 57.07 57.70 3hbl s TYR 476 Cb 0.19 -3.23 -0.00 0.00 -1.10 0.00 0.00 41.96 37.82 3hbl s TYR 476 CO 0.34 -2.22 0.02 0.25 -2.51 0.00 0.00 175.55 171.43 3hbl n THR 477 N -3.42 0.00 0.12 -3.49 -2.24 -1.26 -4.92 114.28 99.07 3hbl n THR 477 Ca 0.11 -0.87 0.03 0.00 -2.27 0.00 0.00 64.05 61.05 3hbl n THR 477 Cb 0.52 0.23 0.43 0.00 -2.10 0.00 0.00 70.33 69.41 3hbl n THR 477 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 3hbl h THR 478 N 1.16 1.14 0.00 4.28 1.35 -1.33 -2.49 112.91 117.01 3hbl h THR 478 Ca -0.14 -0.56 0.00 0.00 -0.55 0.00 0.00 66.41 65.16 3hbl h THR 478 Cb 0.46 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 67.92 3hbl h THR 478 CO 0.23 0.18 0.00 0.29 -0.25 0.00 0.00 175.52 175.97 3hbl n LYS 479 N -4.35 0.66 -0.35 4.72 4.76 -1.26 -4.13 118.16 118.21 3hbl n LYS 479 Ca -0.00 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.41 3hbl n LYS 479 Cb 0.20 -1.02 0.10 0.00 -1.84 0.00 0.00 35.03 32.47 3hbl n LYS 479 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 3hbl h PHE 480 N 0.00 1.18 -0.05 2.13 3.57 -1.72 -2.05 116.94 120.01 3hbl h PHE 480 Ca 0.00 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.39 3hbl h PHE 480 Cb 0.00 -0.40 0.01 0.00 2.79 0.00 0.00 35.95 38.35 3hbl h PHE 480 CO 0.00 0.75 -0.51 0.82 -2.23 0.00 0.00 178.31 177.13 3hbl h ILE 481 N 1.27 1.41 0.00 1.41 2.04 -1.77 -2.72 117.51 119.15 3hbl h ILE 481 Ca 0.34 -1.93 -0.05 0.00 1.00 0.00 0.00 64.86 64.22 3hbl h ILE 481 Cb -0.15 2.42 -0.01 0.00 -0.74 0.00 0.00 36.82 38.35 3hbl h ILE 481 CO -0.07 0.57 -0.23 -0.33 0.00 0.00 0.00 178.15 178.09 3hbl h GLU 482 N -0.04 0.00 0.00 2.37 5.08 -1.83 -2.98 114.58 117.17 3hbl h GLU 482 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3hbl h GLU 482 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3hbl h GLU 482 CO 0.10 0.23 -1.01 0.39 -1.00 0.00 0.00 179.01 177.72 3hbl n GLU 483 N -3.73 0.35 -3.76 2.33 1.02 -0.78 -4.73 120.64 111.35 3hbl n GLU 483 Ca -0.01 0.02 -0.35 0.00 -0.02 0.00 0.00 57.16 56.79 3hbl n GLU 483 Cb 0.34 -1.64 -0.10 0.00 -0.02 0.00 0.00 31.44 30.02 3hbl n GLU 483 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3hbl s THR 484 N -3.23 3.52 -1.00 2.62 2.01 -1.03 -4.96 115.64 113.58 3hbl s THR 484 Ca 0.03 -3.08 0.22 0.00 0.31 0.00 0.00 61.69 59.16 3hbl s THR 484 Cb 0.13 -3.31 0.18 0.00 0.01 0.00 0.00 72.50 69.51 3hbl s THR 484 CO 0.79 -0.87 1.70 -2.65 -0.69 0.00 0.00 174.62 172.90 3hbl n PRO 485 N 3.35 0.00 0.27 4.92 -0.02 -1.26 -3.12 135.00 139.13 3hbl n PRO 485 Ca 0.08 0.13 0.16 0.00 -2.02 0.00 0.00 63.50 61.84 3hbl n PRO 485 Cb 0.37 -1.50 0.63 0.00 -0.02 0.00 0.00 33.50 32.98 3hbl n PRO 485 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3hbl h GLU 486 N 0.00 0.00 0.00 -0.52 3.07 -1.93 -3.26 114.58 111.94 3hbl h GLU 486 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3hbl h GLU 486 Cb 0.37 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.28 3hbl h GLU 486 CO 0.00 0.05 0.00 -0.07 -1.40 0.00 0.00 179.01 177.59 3hbl h LEU 487 N 0.00 0.00 -3.05 1.33 4.07 -1.92 -2.52 115.31 113.23 3hbl h LEU 487 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3hbl h LEU 487 Cb 0.57 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.31 3hbl h LEU 487 CO 0.01 0.00 0.00 0.49 -1.08 0.00 0.00 178.44 177.86 3hbl n PHE 488 N -2.31 0.82 -3.53 1.13 3.72 -1.23 -4.72 117.46 111.33 3hbl n PHE 488 Ca 0.02 -0.64 -0.35 0.00 -0.05 0.00 0.00 57.45 56.43 3hbl n PHE 488 Cb 0.25 -0.16 -0.06 0.00 -0.94 0.00 0.00 39.48 38.57 3hbl n PHE 488 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3hbl n ASP 489 N 0.33 4.37 -4.88 4.37 -0.08 -0.95 -5.04 116.55 114.68 3hbl n ASP 489 Ca 0.18 -3.23 -0.36 0.00 -1.51 0.00 0.00 54.79 49.87 3hbl n ASP 489 Cb 0.67 -1.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.07 3hbl n ASP 489 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 3hbl s ILE 490 N -1.76 5.38 0.16 5.18 -5.25 -1.26 -5.05 121.20 118.60 3hbl s ILE 490 Ca 0.30 0.24 -0.17 0.00 -0.99 0.00 0.00 60.65 60.03 3hbl s ILE 490 Cb -0.02 -3.50 -0.07 0.00 2.95 0.00 0.00 42.46 41.82 3hbl s ILE 490 CO -0.08 0.51 0.61 -1.10 -1.79 0.00 0.00 174.94 173.09 3hbl s GLN 491 N -1.34 4.10 0.60 0.37 1.11 -1.26 -5.04 119.66 118.19 3hbl s GLN 491 Ca 0.21 0.65 -0.20 0.00 0.01 0.00 0.00 55.36 56.03 3hbl s GLN 491 Cb -0.13 -2.95 -0.03 0.00 -1.01 0.00 0.00 33.01 28.89 3hbl s GLN 491 CO 0.10 0.47 1.34 -1.25 0.01 0.00 0.00 175.29 175.96 3hbl s PRO 492 N -1.87 2.85 -0.55 2.91 0.04 -1.26 -4.99 135.00 132.14 3hbl s PRO 492 Ca 0.39 2.17 -0.02 0.00 0.04 0.00 0.00 61.00 63.58 3hbl s PRO 492 Cb -0.16 -2.06 0.14 0.00 0.04 0.00 0.00 34.50 32.46 3hbl s PRO 492 CO 0.20 -1.40 0.35 0.45 0.04 0.00 0.00 177.00 176.63 3hbl s SER 493 N -1.14 5.16 0.79 6.66 0.15 -1.26 -5.09 113.70 118.97 3hbl s SER 493 Ca 0.77 -2.61 -0.11 0.00 0.70 0.00 0.00 55.95 54.71 3hbl s SER 493 Cb -0.40 -1.82 0.07 0.00 -1.71 0.00 0.00 66.02 62.16 3hbl s SER 493 CO 0.44 -0.41 1.09 -0.76 1.20 0.00 0.00 173.24 174.80 3hbl s LEU 494 N 0.30 2.83 -0.26 3.45 1.02 -1.26 -5.07 118.68 119.69 3hbl s LEU 494 Ca 0.14 1.68 -0.03 0.00 0.02 0.00 0.00 54.13 55.94 3hbl s LEU 494 Cb -0.21 -4.33 0.09 0.00 0.02 0.00 0.00 46.19 41.76 3hbl s LEU 494 CO -0.03 -2.10 0.09 -0.62 0.02 0.00 0.00 176.35 173.71 3hbl s ASP 495 N -3.49 3.43 0.17 2.29 -1.08 -1.26 -5.03 116.67 111.70 3hbl s ASP 495 Ca 0.61 -1.22 -0.25 0.00 -0.52 0.00 0.00 52.55 51.18 3hbl s ASP 495 Cb -0.17 -0.57 0.05 0.00 -1.46 0.00 0.00 42.92 40.77 3hbl s ASP 495 CO 0.56 -0.39 1.57 -0.09 0.52 0.00 0.00 175.17 177.35 3hbl h ARG 496 N 8.26 -0.23 -0.49 4.34 2.43 -1.99 -2.82 114.38 123.89 3hbl h ARG 496 Ca -0.16 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 3hbl h ARG 496 Cb 1.05 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.63 3hbl h ARG 496 CO 0.41 -0.16 0.32 0.78 -1.51 0.00 0.00 179.97 179.81 3hbl h GLY 497 N -0.24 0.70 0.96 2.80 0.00 -1.98 -2.57 103.07 102.73 3hbl h GLY 497 Ca 0.18 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 3hbl h GLY 497 CO -0.65 0.26 0.20 -0.84 0.00 0.00 0.00 176.54 175.52 3hbl h THR 498 N 0.66 1.17 -0.06 4.70 2.02 -1.96 -2.06 112.91 117.38 3hbl h THR 498 Ca 0.18 -0.49 -0.03 0.00 0.77 0.00 0.00 66.41 66.84 3hbl h THR 498 Cb -0.06 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 3hbl h THR 498 CO -0.04 0.19 -0.12 0.11 0.37 0.00 0.00 175.52 176.03 3hbl h LYS 499 N 0.53 0.09 -0.31 6.66 1.57 -1.36 0.35 116.57 124.11 3hbl h LYS 499 Ca 0.14 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.80 3hbl h LYS 499 Cb 0.11 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 3hbl h LYS 499 CO -0.02 0.22 -0.21 1.15 -0.57 0.00 0.00 179.45 180.02 3hbl h THR 500 N 0.09 1.30 -0.55 -0.16 2.02 -1.12 -1.23 112.91 113.26 3hbl h THR 500 Ca 0.02 -1.34 -0.05 0.00 0.77 0.00 0.00 66.41 65.81 3hbl h THR 500 Cb 0.27 1.50 -0.02 0.00 -1.74 0.00 0.00 68.15 68.15 3hbl h THR 500 CO 0.02 0.43 0.15 -0.07 0.37 0.00 0.00 175.52 176.42 3hbl h LEU 501 N 0.43 0.82 -0.42 2.58 3.38 -0.56 -2.14 115.31 119.40 3hbl h LEU 501 Ca 0.06 -0.22 0.05 0.00 0.09 0.00 0.00 57.88 57.85 3hbl h LEU 501 Cb 0.75 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.24 3hbl h LEU 501 CO 0.06 0.83 0.17 -0.33 0.09 0.00 0.00 178.44 179.25 3hbl h GLU 502 N 0.77 0.34 0.93 1.13 5.08 -0.24 -0.63 114.58 121.96 3hbl h GLU 502 Ca 0.17 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.47 3hbl h GLU 502 Cb 0.32 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.50 3hbl h GLU 502 CO -0.00 0.22 -0.45 -0.92 -1.00 0.00 0.00 179.01 176.87 3hbl h TYR 503 N 0.35 -1.16 -1.00 4.33 5.03 -1.04 -1.91 116.97 121.57 3hbl h TYR 503 Ca 0.19 -0.03 0.21 0.00 2.58 0.00 0.00 58.73 61.69 3hbl h TYR 503 Cb 0.15 0.38 -0.11 0.00 1.55 0.00 0.00 36.73 38.70 3hbl h TYR 503 CO -0.13 -0.72 0.61 0.82 -1.32 0.00 0.00 178.16 177.41 3hbl h ILE 504 N -1.25 0.64 -0.42 1.81 2.04 -1.37 -0.19 117.51 118.76 3hbl h ILE 504 Ca -0.13 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 3hbl h ILE 504 Cb 0.96 -0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 3hbl h ILE 504 CO 0.21 0.12 0.21 1.23 0.00 0.00 0.00 178.15 179.92 3hbl h GLY 505 N 0.68 0.65 0.90 5.37 0.00 -0.96 -0.78 103.07 108.93 3hbl h GLY 505 Ca 0.60 -0.32 -0.02 0.00 0.00 0.00 0.00 47.33 47.59 3hbl h GLY 505 CO -0.41 0.31 -0.21 -0.57 0.00 0.00 0.00 176.54 175.65 3hbl h ASN 506 N 0.54 -0.50 -0.70 0.19 -0.00 -0.23 -2.11 115.58 112.78 3hbl h ASN 506 Ca 0.15 -0.04 -0.04 0.00 -0.00 0.00 0.00 56.30 56.37 3hbl h ASN 506 Cb 0.11 0.13 -0.03 0.00 -0.00 0.00 0.00 38.32 38.53 3hbl h ASN 506 CO -0.02 -0.28 0.30 0.58 -0.00 0.00 0.00 177.43 178.01 3hbl h VAL 507 N -0.70 1.24 -0.74 2.57 2.07 -1.35 0.34 116.25 119.69 3hbl h VAL 507 Ca -0.06 -0.74 0.01 0.00 0.82 0.00 0.00 66.70 66.73 3hbl h VAL 507 Cb 0.51 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 3hbl h VAL 507 CO 0.10 0.30 0.49 0.74 0.02 0.00 0.00 177.57 179.22 3hbl h THR 508 N 1.03 1.17 0.15 2.57 2.02 -1.06 0.81 112.91 119.61 3hbl h THR 508 Ca 0.24 -0.34 -0.35 0.00 0.77 0.00 0.00 66.41 66.73 3hbl h THR 508 Cb 0.18 0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 66.69 3hbl h THR 508 CO -0.02 0.18 -1.83 0.40 0.37 0.00 0.00 175.52 174.62 3hbl h ILE 509 N 0.98 0.83 -0.05 3.11 2.04 -0.81 -3.40 117.51 120.22 3hbl h ILE 509 Ca 0.28 -2.48 0.00 0.00 1.00 0.00 0.00 64.86 63.66 3hbl h ILE 509 Cb -0.08 2.66 0.00 0.00 -0.74 0.00 0.00 36.82 38.66 3hbl h ILE 509 CO -0.07 0.86 0.00 0.59 0.00 0.00 0.00 178.15 179.53 3hbl n ASN 510 N -3.52 2.18 -0.87 1.72 3.02 0.11 -4.95 115.26 112.96 3hbl n ASN 510 Ca -0.26 -2.11 0.06 0.00 -0.03 0.00 0.00 54.58 52.24 3hbl n ASN 510 Cb 1.06 -0.08 -0.02 0.00 -0.61 0.00 0.00 39.78 40.14 3hbl n ASN 510 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hbl n GLY 511 N -0.45 -1.59 3.19 7.41 0.00 0.28 -4.92 105.19 109.11 3hbl n GLY 511 Ca 0.03 -1.18 -0.26 0.00 0.00 0.00 0.00 46.02 44.61 3hbl n GLY 511 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3hbl s PHE 512 N -0.83 1.75 0.19 1.61 5.36 -1.26 -4.50 117.98 120.29 3hbl s PHE 512 Ca 0.00 -0.36 -0.33 0.00 -0.96 0.00 0.00 56.93 55.28 3hbl s PHE 512 Cb 0.00 -1.13 -0.13 0.00 -0.34 0.00 0.00 43.02 41.42 3hbl s PHE 512 CO 0.00 -0.05 1.62 -0.35 -1.46 0.00 0.00 175.22 174.98 3hbl n PRO 513 N 2.68 2.40 -0.97 10.12 -0.04 -1.26 -2.01 135.00 145.91 3hbl n PRO 513 Ca -0.15 0.86 0.00 0.00 -0.04 0.00 0.00 63.50 64.17 3hbl n PRO 513 Cb 0.53 -2.65 0.00 0.00 -0.04 0.00 0.00 33.50 31.34 3hbl n PRO 513 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3hbl n ASN 515 N 3.49 -4.40 -4.38 3.54 3.02 -1.26 -4.99 115.26 110.28 3hbl n ASN 515 Ca 0.16 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.35 3hbl n ASN 515 Cb 0.31 -2.30 -0.13 0.00 -0.61 0.00 0.00 39.78 37.05 3hbl n ASN 515 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3hbl s VAL 516 N -1.45 3.92 -0.32 2.41 1.01 -0.85 -4.86 120.40 120.27 3hbl s VAL 516 Ca 0.00 -0.41 -0.30 0.00 0.00 0.00 0.00 61.98 61.26 3hbl s VAL 516 Cb 0.00 -2.87 -0.08 0.00 0.00 0.00 0.00 36.38 33.43 3hbl s VAL 516 CO 0.00 0.30 2.25 1.21 0.00 0.00 0.00 175.10 178.86 3hbl n GLU 517 N 4.87 1.48 -1.51 2.72 2.13 -1.26 -4.55 120.64 124.51 3hbl n GLU 517 Ca -0.16 0.36 -0.37 0.00 0.66 0.00 0.00 57.16 57.65 3hbl n GLU 517 Cb 0.50 -2.96 -0.12 0.00 0.27 0.00 0.00 31.44 29.13 3hbl n GLU 517 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 3hbl n LYS 518 N 8.60 0.28 -3.90 5.31 4.76 -1.26 -4.87 118.16 127.08 3hbl n LYS 518 Ca 0.36 -0.03 -0.10 0.00 -2.87 0.00 0.00 58.31 55.66 3hbl n LYS 518 Cb 0.37 -2.02 -0.10 0.00 -1.84 0.00 0.00 35.03 31.44 3hbl n LYS 518 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 3hbl s ARG 519 N 8.64 0.52 0.33 1.97 1.70 -1.26 -5.14 118.95 125.71 3hbl s ARG 519 Ca 1.25 -0.56 -0.28 0.00 -0.47 0.00 0.00 55.73 55.66 3hbl s ARG 519 Cb -0.91 0.21 -0.13 0.00 -0.57 0.00 0.00 34.95 33.55 3hbl s ARG 519 CO 0.42 -0.13 1.25 -0.35 -1.08 0.00 0.00 175.30 175.42 3hbl n PRO 520 N 1.17 1.99 -1.65 3.89 -0.04 -1.26 -4.80 135.00 134.29 3hbl n PRO 520 Ca -0.21 0.70 -0.57 0.00 -0.04 0.00 0.00 63.50 63.38 3hbl n PRO 520 Cb 0.57 -2.25 -0.07 0.00 -0.04 0.00 0.00 33.50 31.70 3hbl n PRO 520 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 3hbl n LYS 521 N 0.65 1.07 -2.27 0.54 4.81 -1.26 -4.87 118.16 116.83 3hbl n LYS 521 Ca 0.06 0.38 -0.36 0.00 -0.87 0.00 0.00 58.31 57.52 3hbl n LYS 521 Cb 0.35 -2.12 -0.00 0.00 0.02 0.00 0.00 35.03 33.28 3hbl n LYS 521 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 3hbl s PRO 522 N 4.10 3.55 -0.98 1.64 0.02 -1.26 -4.97 135.00 137.11 3hbl s PRO 522 Ca 1.01 1.67 -0.16 0.00 0.02 0.00 0.00 61.00 63.55 3hbl s PRO 522 Cb -1.07 -2.19 0.17 0.00 0.02 0.00 0.00 34.50 31.44 3hbl s PRO 522 CO 0.64 -0.70 1.10 0.34 -0.33 0.00 0.00 177.00 178.05 3hbl s ASP 523 N -1.60 6.81 0.82 2.53 3.68 -1.26 -5.04 116.67 122.61 3hbl s ASP 523 Ca 0.68 -2.52 -0.11 0.00 2.13 0.00 0.00 52.55 52.74 3hbl s ASP 523 Cb -0.26 -2.34 0.09 0.00 -1.45 0.00 0.00 42.92 38.96 3hbl s ASP 523 CO 0.30 -0.82 1.09 -0.31 0.13 0.00 0.00 175.17 175.57 3hbl s TYR 524 N 1.53 2.43 0.25 -5.34 1.51 -1.26 -4.99 117.35 111.48 3hbl s TYR 524 Ca 0.31 1.46 -0.31 0.00 -1.01 0.00 0.00 57.07 57.53 3hbl s TYR 524 Cb -0.06 -3.10 -0.13 0.00 -0.11 0.00 0.00 41.96 38.56 3hbl s TYR 524 CO -0.07 -2.06 1.42 0.39 -1.11 0.00 0.00 175.55 174.11 3hbl n GLU 525 N -3.69 2.11 0.02 -0.62 4.71 -1.26 -4.95 120.64 116.96 3hbl n GLU 525 Ca 0.08 0.75 -0.01 0.00 -0.01 0.00 0.00 57.16 57.98 3hbl n GLU 525 Cb 0.54 -2.42 -0.00 0.00 -1.01 0.00 0.00 31.44 28.55 3hbl n GLU 525 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 3hbl h LEU 526 N 4.17 -0.05 -2.91 -4.62 -0.00 -2.01 -3.48 115.31 106.41 3hbl h LEU 526 Ca -0.45 0.00 -0.19 0.00 -0.00 0.00 0.00 57.88 57.23 3hbl h LEU 526 Cb 1.27 0.01 0.01 0.00 -0.00 0.00 0.00 40.66 41.95 3hbl h LEU 526 CO 0.75 -0.03 -0.79 0.00 -0.00 0.00 0.00 178.44 178.37 3hbl n ALA 527 N -2.07 -2.67 -1.42 1.53 0.00 -1.26 -4.94 120.51 109.68 3hbl n ALA 527 Ca -0.01 0.64 -0.34 0.00 0.00 0.00 0.00 53.44 53.74 3hbl n ALA 527 Cb 0.02 -2.77 0.07 0.00 0.00 0.00 0.00 19.45 16.78 3hbl n ALA 527 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3hbl s SER 528 N -2.21 4.61 -0.14 0.00 1.04 -1.26 -4.98 113.70 110.76 3hbl s SER 528 Ca 0.27 2.19 -0.17 0.00 0.48 0.00 0.00 55.95 58.72 3hbl s SER 528 Cb -0.05 -2.57 -0.04 0.00 0.10 0.00 0.00 66.02 63.46 3hbl s SER 528 CO 0.82 -1.98 0.41 -0.63 0.98 0.00 0.00 173.24 172.85 3hbl s ILE 529 N -2.15 5.23 0.11 -1.02 1.01 -1.26 -5.02 121.20 118.09 3hbl s ILE 529 Ca 0.71 0.81 -0.30 0.00 0.00 0.00 0.00 60.65 61.87 3hbl s ILE 529 Cb -0.25 -3.75 -0.06 0.00 0.01 0.00 0.00 42.46 38.41 3hbl s ILE 529 CO 0.43 0.34 1.06 -2.84 0.00 0.00 0.00 174.94 173.93 3hbl s PRO 530 N 0.65 4.59 0.19 2.79 0.02 -1.26 -5.05 135.00 136.93 3hbl s PRO 530 Ca 0.22 1.60 0.07 0.00 0.02 0.00 0.00 61.00 62.91 3hbl s PRO 530 Cb -0.14 -3.35 -0.05 0.00 0.02 0.00 0.00 34.50 30.98 3hbl s PRO 530 CO 0.08 0.04 -0.12 0.95 -0.33 0.00 0.00 177.00 177.61 3hbl s THR 531 N 0.26 1.53 -0.02 0.99 -4.23 -1.26 -4.32 115.64 108.58 3hbl s THR 531 Ca 0.51 -2.16 0.03 0.00 -1.18 0.00 0.00 61.69 58.89 3hbl s THR 531 Cb -0.26 -2.00 -0.00 0.00 1.34 0.00 0.00 72.50 71.58 3hbl s THR 531 CO 0.31 -0.63 -0.11 -0.69 -0.54 0.00 0.00 174.62 172.96 3hbl s VAL 532 N -3.10 0.93 0.29 2.29 1.01 -1.26 -4.84 120.40 115.71 3hbl s VAL 532 Ca 0.21 -0.46 -0.30 0.00 0.00 0.00 0.00 61.98 61.43 3hbl s VAL 532 Cb 0.01 -0.80 -0.13 0.00 0.00 0.00 0.00 36.38 35.46 3hbl s VAL 532 CO 0.05 0.28 1.39 -1.54 0.00 0.00 0.00 175.10 175.28 3hbl n SER 533 N 3.09 2.93 0.22 3.32 3.41 -1.26 -4.85 113.62 120.48 3hbl n SER 533 Ca -0.17 1.17 0.09 0.00 -0.26 0.00 0.00 58.87 59.70 3hbl n SER 533 Cb 0.55 -1.47 0.46 0.00 -0.26 0.00 0.00 64.21 63.49 3hbl n SER 533 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3hbl h SER 534 N 3.69 0.00 0.32 4.04 4.64 -1.99 -2.00 113.55 122.25 3hbl h SER 534 Ca -0.46 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.74 3hbl h SER 534 Cb 1.27 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.35 3hbl h SER 534 CO 0.71 0.27 -0.50 0.77 -0.87 0.00 0.00 176.83 177.21 3hbl h SER 535 N 0.00 0.22 0.01 4.97 4.64 -1.99 -0.74 113.55 120.66 3hbl h SER 535 Ca -0.00 -0.11 -0.00 0.00 -0.47 0.00 0.00 61.79 61.21 3hbl h SER 535 Cb 0.71 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 3hbl h SER 535 CO 0.03 0.69 -0.00 0.50 -0.87 0.00 0.00 176.83 177.18 3hbl h LYS 536 N 0.16 -0.01 -0.61 4.77 3.64 -1.75 -3.03 116.57 119.74 3hbl h LYS 536 Ca 0.01 0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.47 3hbl h LYS 536 Cb 0.94 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.69 3hbl h LYS 536 CO 0.08 0.38 0.25 0.82 -2.27 0.00 0.00 179.45 178.70 3hbl h ILE 537 N -0.40 0.80 -0.10 2.00 2.04 -1.29 -0.24 117.51 120.33 3hbl h ILE 537 Ca -0.00 -0.15 0.03 0.00 1.00 0.00 0.00 64.86 65.73 3hbl h ILE 537 Cb 0.39 0.32 -0.00 0.00 -0.74 0.00 0.00 36.82 36.78 3hbl h ILE 537 CO 0.00 0.08 0.15 0.00 0.00 0.00 0.00 178.15 178.39 3hbl h ALA 538 N 1.40 1.53 -0.00 1.87 0.00 -1.13 0.13 119.26 123.06 3hbl h ALA 538 Ca 0.30 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3hbl h ALA 538 Cb 0.35 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3hbl h ALA 538 CO -0.28 -0.20 -0.21 -1.13 0.00 0.00 0.00 179.25 177.43 3hbl n SER 538 N -3.52 0.38 -4.75 0.00 3.41 -0.11 -4.89 113.62 104.13 3hbl n SER 538 Ca -0.00 -0.19 -0.40 0.00 -0.26 0.00 0.00 58.87 58.01 3hbl n SER 538 Cb 0.25 -0.08 -0.06 0.00 -0.26 0.00 0.00 64.21 64.06 3hbl n SER 538 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3hbl s PHE 538 N -2.78 3.89 -0.32 7.33 2.99 0.43 -5.02 117.98 124.50 3hbl s PHE 538 Ca 0.19 1.87 0.02 0.00 0.00 0.00 0.00 56.93 59.01 3hbl s PHE 538 Cb 0.19 -3.05 0.10 0.00 0.00 0.00 0.00 43.02 40.26 3hbl s PHE 538 CO 0.56 0.22 0.05 0.45 -0.00 0.00 0.00 175.22 176.51 3hbl s SER 539 N -1.13 4.45 0.00 1.36 0.15 -1.26 -4.82 113.70 112.44 3hbl s SER 539 Ca 0.42 -1.89 0.00 0.00 0.70 0.00 0.00 55.95 55.18 3hbl s SER 539 Cb -0.27 -1.34 0.00 0.00 -1.71 0.00 0.00 66.02 62.70 3hbl s SER 539 CO 0.34 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 175.01 3hbl n GLY 540 N 4.48 4.32 0.28 9.45 0.00 -1.19 -4.97 105.19 117.56 3hbl n GLY 540 Ca 0.00 -1.86 0.17 0.00 0.00 0.00 0.00 46.02 44.33 3hbl n GLY 540 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3hbl h THR 541 N 0.00 0.00 -0.13 2.61 1.35 -1.65 -2.41 112.91 112.68 3hbl h THR 541 Ca 0.00 -0.52 -0.04 0.00 -0.55 0.00 0.00 66.41 65.30 3hbl h THR 541 Cb 0.00 1.52 -0.00 0.00 -1.73 0.00 0.00 68.15 67.93 3hbl h THR 541 CO 0.00 0.00 -0.08 0.50 -0.25 0.00 0.00 175.52 175.69 3hbl h LYS 542 N 0.00 0.28 0.00 4.72 3.11 -1.57 -1.63 116.57 121.47 3hbl h LYS 542 Ca 0.00 -0.13 -0.02 0.00 -2.81 0.00 0.00 60.65 57.69 3hbl h LYS 542 Cb 0.52 -0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.74 3hbl h LYS 542 CO 0.00 0.63 -0.10 1.96 -2.81 0.00 0.00 179.45 179.13 3hbl h GLN 543 N -0.08 0.00 -0.04 1.90 7.50 -1.65 -2.19 115.11 120.55 3hbl h GLN 543 Ca 0.03 0.00 -0.17 0.00 0.50 0.00 0.00 58.65 59.00 3hbl h GLN 543 Cb 0.55 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.07 3hbl h GLN 543 CO 0.02 0.10 -0.74 1.25 -1.50 0.00 0.00 178.83 177.96 3hbl h LEU 544 N 0.00 0.31 -0.12 1.46 5.85 -1.17 -1.56 115.31 120.08 3hbl h LEU 544 Ca -0.00 -0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.48 3hbl h LEU 544 Cb 0.21 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.15 3hbl h LEU 544 CO 0.01 0.94 -0.05 0.25 -0.34 0.00 0.00 178.44 179.25 3hbl h LEU 545 N 0.17 0.25 -1.89 2.25 5.85 -0.70 -0.09 115.31 121.15 3hbl h LEU 545 Ca -0.03 -0.41 0.06 0.00 0.84 0.00 0.00 57.88 58.34 3hbl h LEU 545 Cb 1.30 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.25 3hbl h LEU 545 CO 0.12 0.60 0.20 0.44 -0.34 0.00 0.00 178.44 179.46 3hbl h ASP 546 N -0.10 0.13 0.02 1.25 3.32 -1.48 -1.53 116.42 118.02 3hbl h ASP 546 Ca 0.03 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 3hbl h ASP 546 Cb 0.50 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.03 3hbl h ASP 546 CO 0.02 0.08 -0.01 -0.33 -1.72 0.00 0.00 179.24 177.28 3hbl h GLU 547 N 0.14 -0.03 -0.13 3.56 5.08 -1.02 -3.42 114.58 118.77 3hbl h GLU 547 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3hbl h GLU 547 Cb 0.33 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.59 3hbl h GLU 547 CO -0.02 0.16 0.00 1.33 -1.00 0.00 0.00 179.01 179.49 3hbl n VAL 548 N -4.77 0.44 -0.38 3.13 0.24 -0.07 -5.09 118.33 111.84 3hbl n VAL 548 Ca -0.02 -0.72 0.05 0.00 -2.04 0.00 0.00 64.34 61.61 3hbl n VAL 548 Cb 0.10 0.88 -0.01 0.00 -1.47 0.00 0.00 33.84 33.34 3hbl n VAL 548 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hbl n GLY 549 N 0.42 -1.61 0.16 7.63 0.00 -0.58 -3.27 105.19 107.96 3hbl n GLY 549 Ca 0.07 -1.43 -0.04 0.00 0.00 0.00 0.00 46.02 44.62 3hbl n GLY 549 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3hbl h PRO 550 N -0.36 0.20 -0.41 1.61 0.11 -1.82 -1.93 132.00 129.40 3hbl h PRO 550 Ca 0.00 -0.14 -0.11 0.00 0.11 0.00 0.00 66.00 65.86 3hbl h PRO 550 Cb 0.35 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.47 3hbl h PRO 550 CO 0.01 0.74 -0.20 -0.22 -0.21 0.00 0.00 178.00 178.11 3hbl h LYS 551 N 0.15 0.80 0.00 1.05 3.11 -1.96 -3.07 116.57 116.65 3hbl h LYS 551 Ca -0.01 -0.32 -0.14 0.00 -2.81 0.00 0.00 60.65 57.38 3hbl h LYS 551 Cb 1.10 -0.04 -0.02 0.00 -1.00 0.00 0.00 32.23 32.27 3hbl h LYS 551 CO 0.09 0.94 -0.68 0.78 -2.81 0.00 0.00 179.45 177.76 3hbl h GLY 552 N 0.96 0.00 1.08 5.01 0.00 -1.48 -2.73 103.07 105.91 3hbl h GLY 552 Ca 0.10 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.33 3hbl h GLY 552 CO 0.06 0.00 -0.03 -2.08 0.00 0.00 0.00 176.54 174.49 3hbl h VAL 553 N 0.00 1.27 -0.20 4.60 2.07 -1.35 -2.26 116.25 120.38 3hbl h VAL 553 Ca -0.01 -1.18 -0.01 0.00 0.82 0.00 0.00 66.70 66.32 3hbl h VAL 553 Cb 1.34 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 3hbl h VAL 553 CO 0.09 0.43 0.09 0.00 0.02 0.00 0.00 177.57 178.19 3hbl h ALA 554 N 0.97 0.26 -0.55 1.67 0.00 -1.44 -0.91 119.26 119.26 3hbl h ALA 554 Ca 0.16 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3hbl h ALA 554 Cb 0.59 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 3hbl h ALA 554 CO 0.04 -0.16 0.35 0.93 0.00 0.00 0.00 179.25 180.41 3hbl h GLU 555 N 0.18 0.73 -0.57 0.00 4.39 -1.49 -1.98 114.58 115.85 3hbl h GLU 555 Ca 0.07 -0.05 -0.08 0.00 0.34 0.00 0.00 59.36 59.64 3hbl h GLU 555 Cb 0.15 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 3hbl h GLU 555 CO -0.01 0.50 0.05 2.35 -1.16 0.00 0.00 179.01 180.74 3hbl h TRP 556 N 0.75 1.04 0.45 4.33 7.01 -1.04 -3.15 115.95 125.34 3hbl h TRP 556 Ca 0.20 -0.16 -0.02 0.00 2.11 0.00 0.00 58.89 61.02 3hbl h TRP 556 Cb -0.06 -0.28 0.00 0.00 -2.10 0.00 0.00 29.16 26.73 3hbl h TRP 556 CO 0.00 0.92 -0.22 0.28 -2.79 0.00 0.00 178.44 176.64 3hbl h VAL 557 N 0.86 0.55 0.00 2.65 2.07 -0.44 -2.67 116.25 119.26 3hbl h VAL 557 Ca 0.17 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.51 3hbl h VAL 557 Cb 0.47 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 3hbl h VAL 557 CO 0.02 0.03 0.00 2.29 0.02 0.00 0.00 177.57 179.93 3hbl n LYS 558 N -5.31 0.00 0.09 1.57 2.85 -0.93 -0.59 118.16 115.85 3hbl n LYS 558 Ca -0.11 0.43 0.07 0.00 -1.05 0.00 0.00 58.31 57.65 3hbl n LYS 558 Cb 0.28 -1.50 -0.01 0.00 -0.65 0.00 0.00 35.03 33.14 3hbl n LYS 558 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 3hbl h LYS 559 N 0.00 0.00 -6.18 -1.58 3.64 -1.43 -3.47 116.57 107.55 3hbl h LYS 559 Ca 0.00 0.00 -0.56 0.00 -1.27 0.00 0.00 60.65 58.82 3hbl h LYS 559 Cb 0.07 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 3hbl h LYS 559 CO 0.00 0.12 0.96 -0.65 -2.27 0.00 0.00 179.45 177.61 3hbl s GLN 560 N -3.19 4.22 0.11 1.90 -1.52 0.24 -4.91 119.66 116.51 3hbl s GLN 560 Ca -0.01 1.82 -0.14 0.00 -1.95 0.00 0.00 55.36 55.09 3hbl s GLN 560 Cb 0.09 -3.83 -0.06 0.00 -0.22 0.00 0.00 33.01 28.98 3hbl s GLN 560 CO 0.79 -0.75 1.45 0.22 -0.25 0.00 0.00 175.29 176.75 3hbl h ASP 561 N 8.60 0.82 -4.18 5.90 -0.00 -1.90 -3.44 116.42 122.22 3hbl h ASP 561 Ca -0.30 -0.45 -0.53 0.00 -0.00 0.00 0.00 57.03 55.74 3hbl h ASP 561 Cb 1.13 -0.23 0.15 0.00 -0.00 0.00 0.00 39.33 40.38 3hbl h ASP 561 CO 0.97 1.10 0.39 -1.81 -0.00 0.00 0.00 179.24 179.89 3hbl s ASP 562 N -6.60 4.26 -0.11 2.28 1.11 -1.26 -4.72 116.67 111.63 3hbl s ASP 562 Ca -0.12 2.33 -0.26 0.00 0.18 0.00 0.00 52.55 54.68 3hbl s ASP 562 Cb 0.10 -2.59 -0.02 0.00 1.07 0.00 0.00 42.92 41.48 3hbl s ASP 562 CO 0.84 -2.21 0.85 -0.69 1.18 0.00 0.00 175.17 175.14 3hbl s VAL 563 N -2.00 4.90 0.04 -1.27 1.01 -0.24 -4.91 120.40 117.93 3hbl s VAL 563 Ca 0.74 1.72 -0.15 0.00 0.00 0.00 0.00 61.98 64.28 3hbl s VAL 563 Cb -0.29 -4.17 -0.06 0.00 0.00 0.00 0.00 36.38 31.86 3hbl s VAL 563 CO 0.45 0.10 0.46 -0.76 0.00 0.00 0.00 175.10 175.35 3hbl s LEU 564 N 1.62 4.46 0.04 3.92 1.43 -0.82 -1.90 118.68 127.42 3hbl s LEU 564 Ca 0.42 1.02 0.04 0.00 -1.03 0.00 0.00 54.13 54.59 3hbl s LEU 564 Cb -0.18 -2.77 -0.04 0.00 0.03 0.00 0.00 46.19 43.24 3hbl s LEU 564 CO 0.17 0.27 -0.07 -1.48 0.23 0.00 0.00 176.35 175.48 3hbl s LEU 565 N -1.27 3.17 -0.16 1.79 0.05 -1.26 -2.08 118.68 118.93 3hbl s LEU 565 Ca 0.27 -0.21 -0.04 0.00 0.05 0.00 0.00 54.13 54.21 3hbl s LEU 565 Cb -0.17 -1.87 -0.03 0.00 -2.05 0.00 0.00 46.19 42.07 3hbl s LEU 565 CO 0.16 0.24 -0.03 -0.89 -0.55 0.00 0.00 176.35 175.28 3hbl s THR 566 N -1.09 3.91 0.07 5.48 2.01 -0.01 -1.03 115.64 124.98 3hbl s THR 566 Ca 0.19 -0.35 -0.16 0.00 0.31 0.00 0.00 61.69 61.68 3hbl s THR 566 Cb -0.11 -2.72 -0.06 0.00 0.01 0.00 0.00 72.50 69.62 3hbl s THR 566 CO 0.10 0.49 0.51 -0.62 -0.69 0.00 0.00 174.62 174.41 3hbl s ASP 567 N 0.37 6.92 0.00 3.53 2.15 -1.02 -0.25 116.67 128.36 3hbl s ASP 567 Ca -0.04 1.11 0.00 0.00 0.43 0.00 0.00 52.55 54.06 3hbl s ASP 567 Cb -0.14 -2.30 0.01 0.00 -0.30 0.00 0.00 42.92 40.19 3hbl s ASP 567 CO 0.03 0.25 1.00 0.35 -0.17 0.00 0.00 175.17 176.63 3hbl n THR 568 N 1.51 0.98 -0.29 1.71 -2.24 -0.10 -0.36 114.28 115.49 3hbl n THR 568 Ca -0.10 -0.99 0.02 0.00 -2.27 0.00 0.00 64.05 60.71 3hbl n THR 568 Cb 0.52 0.51 0.23 0.00 -2.10 0.00 0.00 70.33 69.48 3hbl n THR 568 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3hbl h THR 569 N 0.09 1.12 0.00 4.28 2.02 -1.80 0.24 112.91 118.86 3hbl h THR 569 Ca 0.00 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 66.82 3hbl h THR 569 Cb 0.50 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.88 3hbl h THR 569 CO 0.00 0.19 0.00 0.49 0.37 0.00 0.00 175.52 176.57 3hbl n PHE 570 N -4.46 0.00 0.00 3.16 3.72 -1.25 -4.18 117.46 114.45 3hbl n PHE 570 Ca 0.12 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.52 3hbl n PHE 570 Cb 0.14 -0.29 0.00 0.00 -0.94 0.00 0.00 39.48 38.38 3hbl n PHE 570 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 3hbl n ARG 571 N -1.29 0.00 -0.26 -1.08 0.00 -0.72 -4.67 116.66 108.63 3hbl n ARG 571 Ca 0.12 0.00 -0.03 0.00 -0.00 0.00 0.00 57.85 57.94 3hbl n ARG 571 Cb 0.21 0.00 0.15 0.00 0.00 0.00 0.00 32.46 32.82 3hbl n ARG 571 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.63 177.85 3hbl h ASP 572 N 0.00 0.98 -0.26 6.15 -0.00 -1.71 -0.80 116.42 120.79 3hbl h ASP 572 Ca 0.00 -0.09 0.04 0.00 -0.00 0.00 0.00 57.03 56.98 3hbl h ASP 572 Cb 0.00 -0.25 -0.04 0.00 -0.00 0.00 0.00 39.33 39.04 3hbl h ASP 572 CO 0.00 0.80 0.03 0.00 -0.00 0.00 0.00 179.24 180.07 3hbl h ALA 573 N 1.35 0.25 0.00 -0.78 0.00 -1.21 -0.25 119.26 118.63 3hbl h ALA 573 Ca 0.27 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.24 3hbl h ALA 573 Cb 0.05 0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3hbl h ALA 573 CO -0.04 -0.39 -0.52 -2.39 0.00 0.00 0.00 179.25 175.91 3hbl n HIS 574 N -5.12 0.58 0.10 0.00 1.44 -1.17 -2.14 115.22 108.92 3hbl n HIS 574 Ca -0.01 0.17 -0.01 0.00 -2.01 0.00 0.00 57.72 55.86 3hbl n HIS 574 Cb 0.13 -0.68 0.28 0.00 0.12 0.00 0.00 29.99 29.83 3hbl n HIS 574 CO 0.00 0.00 0.00 0.37 -2.81 0.00 0.00 176.34 173.90 3hbl h GLN 575 N 0.00 0.24 0.00 -1.40 4.15 -0.35 -0.44 115.11 117.31 3hbl h GLN 575 Ca 0.00 -0.09 -0.00 0.00 0.77 0.00 0.00 58.65 59.33 3hbl h GLN 575 Cb 0.73 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.41 3hbl h GLN 575 CO 0.00 0.54 -0.00 0.77 -1.93 0.00 0.00 178.83 178.21 3hbl h SER 576 N 0.21 -0.00 1.32 -0.69 0.02 -0.97 -3.35 113.55 110.08 3hbl h SER 576 Ca 0.03 -0.31 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 3hbl h SER 576 Cb 0.67 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.21 3hbl h SER 576 CO 0.05 0.66 -0.35 -0.07 -1.14 0.00 0.00 176.83 175.98 3hbl h LEU 577 N -1.00 0.00 -2.94 5.07 3.38 -1.49 -3.38 115.31 114.94 3hbl h LEU 577 Ca -0.00 -0.07 -0.16 0.00 0.09 0.00 0.00 57.88 57.74 3hbl h LEU 577 Cb 0.32 0.00 -0.34 0.00 0.09 0.00 0.00 40.66 40.72 3hbl h LEU 577 CO 0.00 0.03 -0.97 0.18 0.09 0.00 0.00 178.44 177.77 3hbl n LEU 578 N -2.45 1.06 -2.91 1.67 4.77 -0.30 -2.60 117.00 116.24 3hbl n LEU 578 Ca 0.04 -2.07 -0.15 0.00 -0.03 0.00 0.00 56.01 53.80 3hbl n LEU 578 Cb 0.47 -0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 41.52 3hbl n LEU 578 CO 0.34 0.54 -0.07 0.00 -1.33 0.00 0.00 177.39 176.88 3hbl n ALA 579 N 0.36 -0.96 -2.03 -1.18 0.00 -1.16 -1.69 120.51 113.85 3hbl n ALA 579 Ca 0.07 0.05 -0.18 0.00 0.00 0.00 0.00 53.44 53.37 3hbl n ALA 579 Cb 1.09 -1.72 -0.03 0.00 0.00 0.00 0.00 19.45 18.79 3hbl n ALA 579 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3hbl n THR 580 N -3.37 -0.52 1.56 0.00 -1.04 -0.47 -4.91 114.28 105.52 3hbl n THR 580 Ca -0.04 0.00 0.15 0.00 -2.04 0.00 0.00 64.05 62.11 3hbl n THR 580 Cb 0.55 -2.30 0.69 0.00 -1.82 0.00 0.00 70.33 67.45 3hbl n THR 580 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3hbl n ARG 581 N -2.63 0.87 -1.93 -2.82 5.12 -0.68 -4.82 116.66 109.76 3hbl n ARG 581 Ca -0.20 -0.25 -0.42 0.00 -1.93 0.00 0.00 57.85 55.04 3hbl n ARG 581 Cb 0.63 -1.49 -0.03 0.00 -1.16 0.00 0.00 32.46 30.41 3hbl n ARG 581 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3hbl s VAL 582 N -2.31 3.45 0.49 1.55 1.01 -1.26 -4.94 120.40 118.38 3hbl s VAL 582 Ca 0.34 0.55 -0.18 0.00 0.00 0.00 0.00 61.98 62.69 3hbl s VAL 582 Cb 0.21 -3.36 -0.09 0.00 0.00 0.00 0.00 36.38 33.14 3hbl s VAL 582 CO 0.43 -0.05 0.98 -0.13 0.00 0.00 0.00 175.10 176.33 3hbl s ARG 583 N 4.10 3.99 0.37 2.72 0.52 -1.26 -4.95 118.95 124.44 3hbl s ARG 583 Ca 0.77 1.06 0.17 0.00 -0.52 0.00 0.00 55.73 57.20 3hbl s ARG 583 Cb -0.35 -2.14 1.09 0.00 0.52 0.00 0.00 34.95 34.06 3hbl s ARG 583 CO 0.32 -0.24 1.71 1.15 0.02 0.00 0.00 175.30 178.27 3hbl h THR 584 N 1.27 0.42 -0.88 0.02 2.02 -1.92 -2.23 112.91 111.61 3hbl h THR 584 Ca -0.48 -0.13 0.06 0.00 0.77 0.00 0.00 66.41 66.63 3hbl h THR 584 Cb 1.19 -0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 67.53 3hbl h THR 584 CO 0.61 0.07 0.55 0.50 0.37 0.00 0.00 175.52 177.61 3hbl h LYS 585 N 0.39 0.96 0.00 6.66 1.63 -1.89 0.43 116.57 124.75 3hbl h LYS 585 Ca 0.67 -0.06 -0.10 0.00 -0.85 0.00 0.00 60.65 60.31 3hbl h LYS 585 Cb 1.62 -0.22 -0.01 0.00 -0.60 0.00 0.00 32.23 33.02 3hbl h LYS 585 CO -0.43 0.64 -0.49 -0.44 -3.45 0.00 0.00 179.45 175.27 3hbl h ASP 586 N 0.99 0.00 0.00 4.20 3.45 -1.78 -2.47 116.42 120.81 3hbl h ASP 586 Ca 0.38 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.83 3hbl h ASP 586 Cb 0.18 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.95 3hbl h ASP 586 CO -0.18 0.49 -0.05 0.24 -1.57 0.00 0.00 179.24 178.17 3hbl h MET 587 N 0.00 0.03 -0.21 3.56 2.86 -1.16 -3.26 114.93 116.75 3hbl h MET 587 Ca -0.00 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 3hbl h MET 587 Cb 1.35 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 33.01 3hbl h MET 587 CO 0.06 0.84 0.11 0.82 1.06 0.00 0.00 176.91 179.80 3hbl h ILE 588 N -0.77 1.07 -0.51 -1.22 1.08 -0.23 -2.36 117.51 114.58 3hbl h ILE 588 Ca -0.01 -0.19 0.00 0.00 -0.39 0.00 0.00 64.86 64.27 3hbl h ILE 588 Cb 0.86 0.80 -0.03 0.00 -3.07 0.00 0.00 36.82 35.39 3hbl h ILE 588 CO 0.01 0.08 0.31 0.78 -0.69 0.00 0.00 178.15 178.64 3hbl h ASN 589 N 0.28 0.59 -0.50 1.72 -0.26 -1.48 -2.79 115.58 113.15 3hbl h ASN 589 Ca 0.07 -0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.79 3hbl h ASN 589 Cb 0.02 -0.15 0.00 0.00 -1.06 0.00 0.00 38.32 37.13 3hbl h ASN 589 CO -0.01 0.45 0.00 2.30 -1.06 0.00 0.00 177.43 179.10 3hbl n ILE 590 N -4.44 0.91 -0.10 2.81 -6.64 -0.93 -4.67 119.36 106.29 3hbl n ILE 590 Ca 0.04 -0.96 -0.07 0.00 -1.77 0.00 0.00 62.75 60.00 3hbl n ILE 590 Cb 0.07 0.58 0.01 0.00 -1.44 0.00 0.00 39.64 38.85 3hbl n ILE 590 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3hbl h ALA 591 N 3.20 0.43 -0.68 -1.28 0.00 -1.15 0.23 119.26 120.01 3hbl h ALA 591 Ca 0.00 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 3hbl h ALA 591 Cb 0.85 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 3hbl h ALA 591 CO 0.00 -0.19 0.11 0.66 0.00 0.00 0.00 179.25 179.83 3hbl h SER 592 N 0.37 1.08 -0.26 0.00 4.64 -1.79 0.14 113.55 117.72 3hbl h SER 592 Ca 0.15 -0.26 -0.03 0.00 -0.47 0.00 0.00 61.79 61.18 3hbl h SER 592 Cb 0.06 -0.29 -0.01 0.00 -0.31 0.00 0.00 62.40 61.85 3hbl h SER 592 CO -0.10 1.07 0.06 0.50 -0.87 0.00 0.00 176.83 177.49 3hbl h LYS 593 N 1.05 0.42 -0.79 4.77 1.63 -1.63 -3.07 116.57 118.96 3hbl h LYS 593 Ca 0.21 -0.10 0.09 0.00 -0.85 0.00 0.00 60.65 59.99 3hbl h LYS 593 Cb 0.45 -0.06 -0.07 0.00 -0.60 0.00 0.00 32.23 31.95 3hbl h LYS 593 CO 0.01 0.52 0.45 1.15 -3.45 0.00 0.00 179.45 178.13 3hbl h THR 594 N 0.26 0.92 -0.61 1.00 2.02 -0.23 -0.09 112.91 116.18 3hbl h THR 594 Ca 0.08 -0.27 0.07 0.00 0.77 0.00 0.00 66.41 67.07 3hbl h THR 594 Cb 0.29 0.08 -0.06 0.00 -1.74 0.00 0.00 68.15 66.72 3hbl h THR 594 CO 0.00 0.14 0.29 0.00 0.37 0.00 0.00 175.52 176.33 3hbl h ALA 595 N 1.43 0.80 0.03 6.16 0.00 -0.88 0.61 119.26 127.41 3hbl h ALA 595 Ca 0.38 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.33 3hbl h ALA 595 Cb 0.32 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3hbl h ALA 595 CO -0.23 -0.08 -0.01 0.22 0.00 0.00 0.00 179.25 179.14 3hbl h ASP 596 N 0.54 -0.04 -0.39 0.00 3.58 -1.36 -2.44 116.42 116.31 3hbl h ASP 596 Ca 0.29 -0.36 0.06 0.00 0.42 0.00 0.00 57.03 57.44 3hbl h ASP 596 Cb 0.26 0.01 -0.05 0.00 1.72 0.00 0.00 39.33 41.26 3hbl h ASP 596 CO -0.22 0.34 0.07 0.58 -2.88 0.00 0.00 179.24 177.12 3hbl h VAL 597 N -0.42 0.79 -0.72 2.25 2.07 -0.61 -2.64 116.25 116.96 3hbl h VAL 597 Ca -0.00 -0.07 -0.19 0.00 0.82 0.00 0.00 66.70 67.26 3hbl h VAL 597 Cb 0.39 0.58 -0.12 0.00 -1.52 0.00 0.00 31.29 30.62 3hbl h VAL 597 CO 0.01 0.03 0.24 0.49 0.02 0.00 0.00 177.57 178.36 3hbl n PHE 598 N -5.11 2.41 -0.42 1.57 3.01 0.17 -4.01 117.46 115.07 3hbl n PHE 598 Ca 0.02 -1.16 0.40 0.00 1.01 0.00 0.00 57.45 57.73 3hbl n PHE 598 Cb 0.18 -0.67 0.76 0.00 -0.01 0.00 0.00 39.48 39.74 3hbl n PHE 598 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 3hbl h LYS 599 N 2.80 0.00 -0.34 -1.08 2.10 -1.05 0.30 116.57 119.29 3hbl h LYS 599 Ca 0.24 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.89 3hbl h LYS 599 Cb 2.30 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.63 3hbl h LYS 599 CO 0.71 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.91 3hbl n ASP 600 N -4.04 2.93 -4.78 7.07 8.00 -1.26 -4.55 116.55 119.91 3hbl n ASP 600 Ca 0.31 -2.01 -0.32 0.00 0.71 0.00 0.00 54.79 53.48 3hbl n ASP 600 Cb 1.48 -0.23 0.07 0.00 -0.02 0.00 0.00 41.12 42.42 3hbl n ASP 600 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3hbl s GLY 601 N -1.01 1.82 -0.02 0.44 0.00 0.10 -4.83 107.32 103.82 3hbl s GLY 601 Ca 0.23 0.32 -0.23 0.00 0.00 0.00 0.00 44.72 45.04 3hbl s GLY 601 CO 0.16 0.66 1.19 -2.75 0.00 0.00 0.00 173.10 172.35 3hbl h PHE 602 N -0.71 0.25 -2.01 1.90 3.57 -1.38 -3.42 116.94 115.14 3hbl h PHE 602 Ca -0.45 -0.10 0.09 0.00 3.53 0.00 0.00 57.97 61.05 3hbl h PHE 602 Cb 1.23 -0.04 -0.18 0.00 2.79 0.00 0.00 35.95 39.75 3hbl h PHE 602 CO 0.58 0.77 0.50 -1.54 -2.23 0.00 0.00 178.31 176.39 3hbl s SER 603 N -6.10 -0.38 -0.20 0.41 1.04 -1.25 -3.82 113.70 103.40 3hbl s SER 603 Ca -0.15 0.17 -0.07 0.00 0.48 0.00 0.00 55.95 56.38 3hbl s SER 603 Cb 0.02 0.36 -0.04 0.00 0.10 0.00 0.00 66.02 66.47 3hbl s SER 603 CO 0.73 -0.52 0.06 -0.76 0.98 0.00 0.00 173.24 173.73 3hbl s LEU 604 N -1.95 3.67 -0.55 2.42 1.43 0.69 -2.45 118.68 121.94 3hbl s LEU 604 Ca 0.02 -0.03 -0.23 0.00 -1.03 0.00 0.00 54.13 52.86 3hbl s LEU 604 Cb -0.01 -1.94 0.04 0.00 0.03 0.00 0.00 46.19 44.31 3hbl s LEU 604 CO -0.04 0.10 0.90 -0.70 0.23 0.00 0.00 176.35 176.83 3hbl s GLU 605 N 0.80 3.30 -0.03 1.70 2.12 0.51 -0.82 118.70 126.28 3hbl s GLU 605 Ca 0.03 -0.36 0.05 0.00 0.36 0.00 0.00 54.97 55.05 3hbl s GLU 605 Cb -0.14 -4.06 0.07 0.00 0.26 0.00 0.00 34.13 30.26 3hbl s GLU 605 CO 0.02 -1.45 1.01 0.00 -0.54 0.00 0.00 175.26 174.30 3hbl n MET 606 N 7.28 0.36 -3.53 4.30 0.00 -0.91 -2.80 117.12 121.81 3hbl n MET 606 Ca 0.00 -1.36 -0.11 0.00 0.00 0.00 0.00 57.70 56.23 3hbl n MET 606 Cb 0.47 -0.75 -0.02 0.00 0.00 0.00 0.00 33.22 32.92 3hbl n MET 606 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 175.97 175.51 3hbl s TRP 607 N -0.71 -0.45 0.00 3.17 -0.00 -1.24 -4.84 118.94 114.87 3hbl s TRP 607 Ca 0.08 0.18 0.00 0.00 -0.00 0.00 0.00 56.10 56.36 3hbl s TRP 607 Cb 0.07 0.59 0.00 0.00 -0.00 0.00 0.00 33.47 34.13 3hbl s TRP 607 CO 0.01 -0.94 0.00 0.41 -0.00 0.00 0.00 176.95 176.43 3hbl n GLY 608 N -0.40 -1.49 7.00 5.86 0.00 -1.26 -2.68 105.19 112.22 3hbl n GLY 608 Ca -0.14 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.41 3hbl n GLY 608 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hbl n GLY 609 N 0.00 2.70 0.19 -0.02 0.00 -1.22 -1.60 105.19 105.25 3hbl n GLY 609 Ca 0.00 -0.13 0.15 0.00 0.00 0.00 0.00 46.02 46.04 3hbl n GLY 609 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hbl n ALA 610 N 8.44 2.70 -0.15 4.61 0.00 -1.26 -4.33 120.51 130.53 3hbl n ALA 610 Ca 0.00 -0.31 -0.04 0.00 0.00 0.00 0.00 53.44 53.09 3hbl n ALA 610 Cb 0.00 -1.33 0.15 0.00 0.00 0.00 0.00 19.45 18.28 3hbl n ALA 610 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3hbl h THR 611 N 0.95 1.24 0.81 0.00 1.35 -1.66 0.50 112.91 116.10 3hbl h THR 611 Ca 0.00 -0.91 -0.04 0.00 -0.55 0.00 0.00 66.41 64.91 3hbl h THR 611 Cb 0.31 0.71 0.00 0.00 -1.73 0.00 0.00 68.15 67.44 3hbl h THR 611 CO 0.00 0.34 -0.46 0.15 -0.25 0.00 0.00 175.52 175.29 3hbl h PHE 612 N 0.84 -1.23 -0.05 4.73 3.57 -1.75 0.64 116.94 123.69 3hbl h PHE 612 Ca 0.18 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.70 3hbl h PHE 612 Cb 0.36 0.43 -0.05 0.00 2.79 0.00 0.00 35.95 39.48 3hbl h PHE 612 CO 0.02 -0.71 -0.28 0.22 -2.23 0.00 0.00 178.31 175.34 3hbl h ASP 613 N -1.18 -0.84 -0.22 0.41 -0.00 -1.80 -2.95 116.42 109.84 3hbl h ASP 613 Ca -0.11 0.12 -0.14 0.00 -0.00 0.00 0.00 57.03 56.89 3hbl h ASP 613 Cb 0.94 0.35 -0.01 0.00 -0.00 0.00 0.00 39.33 40.61 3hbl h ASP 613 CO 0.13 -0.34 -0.38 0.58 -0.00 0.00 0.00 179.24 179.23 3hbl h VAL 614 N -0.39 1.29 0.21 2.25 2.07 -0.89 -1.88 116.25 118.90 3hbl h VAL 614 Ca 0.08 -1.55 0.01 0.00 0.82 0.00 0.00 66.70 66.06 3hbl h VAL 614 Cb 0.50 1.45 -0.04 0.00 -1.52 0.00 0.00 31.29 31.68 3hbl h VAL 614 CO -0.27 0.51 -0.44 0.00 0.02 0.00 0.00 177.57 177.38 3hbl h ALA 615 N 0.95 -0.85 -0.72 1.67 0.00 -0.74 -1.05 119.26 118.52 3hbl h ALA 615 Ca 0.05 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 3hbl h ALA 615 Cb 0.93 0.72 -0.03 0.00 0.00 0.00 0.00 17.79 19.40 3hbl h ALA 615 CO 0.08 -1.04 0.21 1.88 0.00 0.00 0.00 179.25 180.39 3hbl h TYR 616 N -0.74 1.17 0.00 0.00 0.99 -1.35 0.28 116.97 117.32 3hbl h TYR 616 Ca -0.00 -0.12 0.00 0.00 2.00 0.00 0.00 58.73 60.61 3hbl h TYR 616 Cb 0.72 -0.34 0.00 0.00 1.00 0.00 0.00 36.73 38.12 3hbl h TYR 616 CO -0.34 0.93 -0.39 -0.97 -0.00 0.00 0.00 178.16 177.39 3hbl h ASN 617 N 1.07 0.00 0.00 3.88 -0.00 -1.26 -3.28 115.58 115.98 3hbl h ASN 617 Ca 0.23 0.00 -0.02 0.00 -0.00 0.00 0.00 56.30 56.51 3hbl h ASN 617 Cb 0.32 0.00 -0.00 0.00 -0.00 0.00 0.00 38.32 38.64 3hbl h ASN 617 CO -0.01 0.69 -0.16 -0.26 -0.00 0.00 0.00 177.43 177.70 3hbl h PHE 618 N -1.00 0.00 0.00 0.67 -1.00 -1.40 -3.36 116.94 110.86 3hbl h PHE 618 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 3hbl h PHE 618 Cb 0.39 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.95 3hbl h PHE 618 CO -0.17 0.66 -0.30 1.28 -1.61 0.00 0.00 178.31 178.17 3hbl n LEU 619 N -4.65 0.70 -3.63 1.54 4.77 -0.94 -4.94 117.00 109.86 3hbl n LEU 619 Ca -0.09 0.39 -0.24 0.00 -0.03 0.00 0.00 56.01 56.05 3hbl n LEU 619 Cb 0.33 -0.26 0.07 0.00 -2.33 0.00 0.00 43.42 41.22 3hbl n LEU 619 CO 0.20 -0.10 0.18 0.29 -1.33 0.00 0.00 177.39 176.63 3hbl n LYS 620 N -2.11 -7.19 -4.20 3.23 4.01 0.56 -4.83 118.16 107.64 3hbl n LYS 620 Ca 0.05 0.78 -0.18 0.00 -0.51 0.00 0.00 58.31 58.45 3hbl n LYS 620 Cb 0.42 -5.78 -0.12 0.00 -0.51 0.00 0.00 35.03 29.05 3hbl n LYS 620 CO 0.00 0.00 0.00 -1.83 -1.11 0.00 0.00 177.40 174.46 3hbl s GLU 621 N -6.17 0.89 -0.32 1.97 -1.05 0.65 -4.66 118.70 110.01 3hbl s GLU 621 Ca 0.46 -1.07 -0.29 0.00 -0.15 0.00 0.00 54.97 53.93 3hbl s GLU 621 Cb -0.21 -0.83 0.00 0.00 -0.44 0.00 0.00 34.13 32.66 3hbl s GLU 621 CO 0.75 0.17 1.29 1.21 0.95 0.00 0.00 175.26 179.63 3hbl s ASN 622 N -2.04 6.66 0.53 0.83 3.04 -1.26 -2.71 114.94 119.99 3hbl s ASN 622 Ca 0.02 1.13 0.22 0.00 0.04 0.00 0.00 52.86 54.27 3hbl s ASN 622 Cb -0.08 -2.54 1.43 0.00 -1.54 0.00 0.00 41.25 38.52 3hbl s ASN 622 CO 0.02 -1.10 2.15 1.55 -3.04 0.00 0.00 177.10 176.68 3hbl h PRO 623 N 9.33 0.00 -0.35 0.43 0.13 -1.90 -1.34 132.00 138.30 3hbl h PRO 623 Ca -0.26 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.78 3hbl h PRO 623 Cb 1.09 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.21 3hbl h PRO 623 CO 1.04 0.05 -0.18 -1.49 -0.23 0.00 0.00 178.00 177.19 3hbl h TRP 624 N 0.00 0.72 -0.57 1.56 4.06 -1.98 -1.28 115.95 118.45 3hbl h TRP 624 Ca -0.00 -0.14 -0.04 0.00 2.06 0.00 0.00 58.89 60.77 3hbl h TRP 624 Cb 0.10 -0.18 -0.03 0.00 -1.00 0.00 0.00 29.16 28.05 3hbl h TRP 624 CO 0.00 0.78 0.22 0.93 -3.56 0.00 0.00 178.44 176.81 3hbl h GLU 625 N 0.58 0.87 -0.43 0.49 5.08 -1.66 -0.51 114.58 119.01 3hbl h GLU 625 Ca 0.09 -0.17 0.01 0.00 -1.00 0.00 0.00 59.36 58.30 3hbl h GLU 625 Cb 0.63 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 3hbl h GLU 625 CO 0.04 0.76 0.26 -0.09 -1.00 0.00 0.00 179.01 178.99 3hbl h ARG 626 N 0.79 0.52 0.06 2.33 2.43 -1.03 0.80 114.38 120.28 3hbl h ARG 626 Ca 0.19 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.33 3hbl h ARG 626 Cb 0.22 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.66 3hbl h ARG 626 CO -0.01 0.34 -0.03 1.25 -1.51 0.00 0.00 179.97 180.01 3hbl h LEU 627 N 0.54 -0.08 -0.61 3.80 5.85 -1.07 -2.13 115.31 121.61 3hbl h LEU 627 Ca 0.16 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.82 3hbl h LEU 627 Cb -0.02 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 3hbl h LEU 627 CO -0.06 -0.05 0.12 -0.33 -0.34 0.00 0.00 178.44 177.78 3hbl h GLU 628 N -0.08 0.99 -0.11 1.25 5.08 -0.71 0.55 114.58 121.53 3hbl h GLU 628 Ca -0.01 -0.25 -0.13 0.00 -1.00 0.00 0.00 59.36 57.97 3hbl h GLU 628 Cb 0.07 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.20 3hbl h GLU 628 CO 0.01 0.92 -0.43 0.00 -1.00 0.00 0.00 179.01 178.51 3hbl h ARG 629 N 0.90 0.49 -0.88 2.33 3.08 -0.86 -2.61 114.38 116.83 3hbl h ARG 629 Ca 0.19 -0.37 0.02 0.00 0.07 0.00 0.00 59.98 59.88 3hbl h ARG 629 Cb 0.39 0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.47 3hbl h ARG 629 CO 0.01 1.00 0.58 -0.07 -1.07 0.00 0.00 179.97 180.42 3hbl h LEU 630 N 0.09 0.99 -0.29 3.04 3.38 -1.31 -2.35 115.31 118.86 3hbl h LEU 630 Ca -0.02 -0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.00 3hbl h LEU 630 Cb 1.06 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 41.49 3hbl h LEU 630 CO 0.09 0.71 -0.23 -0.09 0.09 0.00 0.00 178.44 179.01 3hbl h ARG 631 N 1.17 -0.21 -0.64 1.13 1.12 -0.71 0.20 114.38 116.45 3hbl h ARG 631 Ca 0.33 0.01 -0.04 0.00 -1.11 0.00 0.00 59.98 59.17 3hbl h ARG 631 Cb -0.10 0.05 -0.03 0.00 -0.01 0.00 0.00 29.97 29.88 3hbl h ARG 631 CO -0.08 -0.14 0.23 0.87 -3.11 0.00 0.00 179.97 177.75 3hbl h LYS 632 N -0.21 0.95 0.01 0.20 1.57 -1.17 -3.19 116.57 114.73 3hbl h LYS 632 Ca 0.15 -0.17 -0.22 0.00 -1.87 0.00 0.00 60.65 58.55 3hbl h LYS 632 Cb 0.45 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 3hbl h LYS 632 CO -0.41 0.80 -1.04 0.00 -0.57 0.00 0.00 179.45 178.22 3hbl h ALA 633 N 1.32 0.35 -2.38 3.86 0.00 -0.90 -3.36 119.26 118.16 3hbl h ALA 633 Ca 0.21 -0.93 -0.60 0.00 0.00 0.00 0.00 54.91 53.59 3hbl h ALA 633 Cb 0.22 -0.12 -0.42 0.00 0.00 0.00 0.00 17.79 17.47 3hbl h ALA 633 CO -0.02 1.25 -0.62 -0.89 0.00 0.00 0.00 179.25 178.98 3hbl n ILE 634 N -3.35 2.01 1.09 0.00 5.41 0.67 -4.47 119.36 120.72 3hbl n ILE 634 Ca -0.01 -5.06 0.04 0.00 1.00 0.00 0.00 62.75 58.71 3hbl n ILE 634 Cb 0.95 -2.11 0.12 0.00 -0.71 0.00 0.00 39.64 37.89 3hbl n ILE 634 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 3hbl n PRO 635 N 1.14 1.68 -0.00 0.38 -0.04 -1.21 -4.23 135.00 132.72 3hbl n PRO 635 Ca 0.27 -0.93 0.02 0.00 -0.04 0.00 0.00 63.50 62.82 3hbl n PRO 635 Cb 0.40 -1.27 -0.03 0.00 -0.04 0.00 0.00 33.50 32.56 3hbl n PRO 635 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 3hbl n ASN 636 N 0.24 4.06 -4.77 3.54 6.94 -1.26 -4.71 115.26 119.29 3hbl n ASN 636 Ca 0.09 -0.01 -0.31 0.00 -0.02 0.00 0.00 54.58 54.33 3hbl n ASN 636 Cb 0.26 1.18 -0.07 0.00 -2.36 0.00 0.00 39.78 38.79 3hbl n ASN 636 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3hbl s VAL 637 N -2.26 4.57 0.25 3.53 1.01 -1.26 -1.73 120.40 124.50 3hbl s VAL 637 Ca -0.01 -0.65 -0.30 0.00 0.00 0.00 0.00 61.98 61.01 3hbl s VAL 637 Cb 0.02 -3.16 -0.10 0.00 0.00 0.00 0.00 36.38 33.14 3hbl s VAL 637 CO 0.16 0.21 1.46 -0.76 0.00 0.00 0.00 175.10 176.17 3hbl s LEU 638 N -2.15 4.38 -0.04 3.92 1.43 -1.25 -4.54 118.68 120.43 3hbl s LEU 638 Ca 0.27 2.69 -0.15 0.00 -1.03 0.00 0.00 54.13 55.90 3hbl s LEU 638 Cb -0.12 -3.62 -0.05 0.00 0.03 0.00 0.00 46.19 42.43 3hbl s LEU 638 CO 0.19 -0.73 0.41 -0.36 0.23 0.00 0.00 176.35 176.09 3hbl s PHE 639 N 0.09 3.65 -0.01 0.29 0.40 -1.26 -0.23 117.98 120.91 3hbl s PHE 639 Ca 0.61 0.93 0.06 0.00 -0.60 0.00 0.00 56.93 57.92 3hbl s PHE 639 Cb -0.43 -2.36 -0.01 0.00 0.51 0.00 0.00 43.02 40.73 3hbl s PHE 639 CO 0.43 0.49 -0.18 -1.14 0.70 0.00 0.00 175.22 175.51 3hbl s GLN 640 N -0.51 1.48 0.16 0.44 0.74 0.00 -0.74 119.66 121.24 3hbl s GLN 640 Ca 0.23 -0.66 0.06 0.00 0.05 0.00 0.00 55.36 55.05 3hbl s GLN 640 Cb -0.16 -1.44 -0.04 0.00 1.10 0.00 0.00 33.01 32.47 3hbl s GLN 640 CO 0.12 0.39 -0.13 0.00 -0.55 0.00 0.00 175.29 175.12 3hbl s MET 641 N -0.44 1.14 -0.24 1.67 0.23 -0.20 -2.15 119.30 119.31 3hbl s MET 641 Ca 0.07 -1.42 -0.13 0.00 -1.03 0.00 0.00 55.69 53.17 3hbl s MET 641 Cb -0.07 -0.89 -0.04 0.00 -1.53 0.00 0.00 34.83 32.30 3hbl s MET 641 CO -0.01 0.15 0.30 -1.17 -2.03 0.00 0.00 175.02 172.26 3hbl s LEU 642 N -2.97 4.09 -0.16 0.18 2.96 -1.09 -0.87 118.68 120.82 3hbl s LEU 642 Ca 0.16 0.27 0.01 0.00 -0.22 0.00 0.00 54.13 54.35 3hbl s LEU 642 Cb -0.01 -2.32 0.01 0.00 0.50 0.00 0.00 46.19 44.37 3hbl s LEU 642 CO 0.03 -0.06 -0.19 -0.22 -1.32 0.00 0.00 176.35 174.59 3hbl s LEU 643 N 1.52 2.20 -0.18 -0.68 2.96 0.13 -3.40 118.68 121.22 3hbl s LEU 643 Ca 0.13 -0.60 -0.23 0.00 -0.22 0.00 0.00 54.13 53.21 3hbl s LEU 643 Cb -0.15 -1.49 -0.02 0.00 0.50 0.00 0.00 46.19 45.03 3hbl s LEU 643 CO 0.08 0.04 0.75 -0.60 -1.32 0.00 0.00 176.35 175.29 3hbl s ARG 644 N 1.07 4.26 0.49 1.98 3.52 -0.37 -1.89 118.95 128.02 3hbl s ARG 644 Ca -0.01 0.85 0.23 0.00 -0.13 0.00 0.00 55.73 56.68 3hbl s ARG 644 Cb -0.14 -3.58 1.30 0.00 -1.56 0.00 0.00 34.95 30.97 3hbl s ARG 644 CO -0.07 -0.29 1.94 0.00 -0.81 0.00 0.00 175.30 176.07 3hbl h ALA 645 N 7.39 2.45 0.13 6.12 0.00 -1.21 0.15 119.26 134.30 3hbl h ALA 645 Ca -0.30 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.29 3hbl h ALA 645 Cb 1.14 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 3hbl h ALA 645 CO 0.81 -0.66 -1.47 0.66 0.00 0.00 0.00 179.25 178.59 3hbl h SER 646 N 0.15 0.43 -0.04 0.00 4.64 -1.83 -3.42 113.55 113.48 3hbl h SER 646 Ca 0.35 -0.55 -0.17 0.00 -0.47 0.00 0.00 61.79 60.95 3hbl h SER 646 Cb 1.16 -0.14 -0.28 0.00 -0.31 0.00 0.00 62.40 62.82 3hbl h SER 646 CO -0.05 1.45 -0.73 -0.46 -0.87 0.00 0.00 176.83 176.16 3hbl n ASN 647 N -3.49 0.19 0.00 4.97 6.94 -0.89 -4.34 115.26 118.64 3hbl n ASN 647 Ca -0.15 -2.02 0.00 0.00 -0.02 0.00 0.00 54.58 52.39 3hbl n ASN 647 Cb 1.04 -0.04 0.00 0.00 -2.36 0.00 0.00 39.78 38.42 3hbl n ASN 647 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3hbl n ALA 648 N 0.06 0.00 -1.29 -2.53 0.00 0.48 -0.09 120.51 117.13 3hbl n ALA 648 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3hbl n ALA 648 Cb 0.94 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.39 3hbl n ALA 648 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 3hbl n VAL 649 N 0.00 0.00 -0.33 0.00 3.14 -1.26 -1.24 118.33 118.65 3hbl n VAL 649 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 3hbl n VAL 649 Cb 0.00 0.86 0.00 0.00 -1.06 0.00 0.00 33.84 33.64 3hbl n VAL 649 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3hbl n GLY 650 N 0.00 -1.37 0.00 7.55 0.00 0.87 -4.72 105.19 107.52 3hbl n GLY 650 Ca 0.00 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.45 3hbl n GLY 650 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3hbl n TYR 651 N -0.97 0.00 -3.00 1.61 0.18 -1.26 -5.01 117.16 108.71 3hbl n TYR 651 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 3hbl n TYR 651 Cb 0.00 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 38.96 3hbl n TYR 651 CO 0.00 0.00 0.00 0.36 -2.08 0.00 0.00 176.86 175.14 3hbl n LYS 652 N -0.45 0.82 -3.44 -3.48 2.85 -1.26 -5.17 118.16 108.03 3hbl n LYS 652 Ca 0.00 0.00 -0.28 0.00 -1.05 0.00 0.00 58.31 56.98 3hbl n LYS 652 Cb 0.03 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.37 3hbl n LYS 652 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 3hbl s ASN 653 N 1.00 6.42 0.02 -5.58 0.01 -1.26 -4.71 114.94 110.84 3hbl s ASN 653 Ca 0.00 0.62 0.00 0.00 -0.71 0.00 0.00 52.86 52.77 3hbl s ASN 653 Cb 0.00 -2.10 -0.02 0.00 0.41 0.00 0.00 41.25 39.54 3hbl s ASN 653 CO 0.00 -0.15 -0.03 -0.31 -1.51 0.00 0.00 177.10 175.10 3hbl s TYR 654 N -2.03 0.26 0.74 2.20 1.51 -1.26 -5.09 117.35 113.67 3hbl s TYR 654 Ca 0.42 -0.45 -0.15 0.00 -1.01 0.00 0.00 57.07 55.88 3hbl s TYR 654 Cb -0.11 -0.18 0.04 0.00 -0.11 0.00 0.00 41.96 41.60 3hbl s TYR 654 CO 0.30 -0.15 1.22 -1.25 -1.11 0.00 0.00 175.55 174.55 3hbl s PRO 655 N -1.25 2.09 0.37 -1.71 0.04 -1.26 -4.55 135.00 128.73 3hbl s PRO 655 Ca -0.13 1.80 0.09 0.00 0.04 0.00 0.00 61.00 62.79 3hbl s PRO 655 Cb -0.08 -1.82 0.83 0.00 0.04 0.00 0.00 34.50 33.46 3hbl s PRO 655 CO -0.01 -1.88 1.91 -0.44 0.04 0.00 0.00 177.00 176.62 3hbl h ASP 656 N -0.32 0.61 0.34 6.66 3.32 -1.90 -1.07 116.42 124.06 3hbl h ASP 656 Ca -0.48 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.59 3hbl h ASP 656 Cb 1.30 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.75 3hbl h ASP 656 CO 0.49 0.35 0.00 -0.46 -1.72 0.00 0.00 179.24 177.90 3hbl n ASN 657 N -4.51 0.46 0.11 6.45 6.94 -1.26 -1.55 115.26 121.90 3hbl n ASN 657 Ca 0.14 0.66 -0.20 0.00 -0.02 0.00 0.00 54.58 55.16 3hbl n ASN 657 Cb 0.38 -0.74 -0.15 0.00 -2.36 0.00 0.00 39.78 36.91 3hbl n ASN 657 CO 0.00 0.00 0.00 0.58 -1.03 0.00 0.00 177.26 176.81 3hbl h VAL 658 N 0.00 1.31 0.32 3.53 2.07 -1.54 -2.65 116.25 119.29 3hbl h VAL 658 Ca 0.00 -2.84 -0.02 0.00 0.82 0.00 0.00 66.70 64.67 3hbl h VAL 658 Cb 0.17 2.94 0.00 0.00 -1.52 0.00 0.00 31.29 32.89 3hbl h VAL 658 CO 0.00 0.85 -0.15 0.40 0.02 0.00 0.00 177.57 178.69 3hbl h ILE 659 N 0.11 0.71 -0.17 4.57 1.08 -1.35 -2.57 117.51 119.89 3hbl h ILE 659 Ca -0.22 -0.20 0.05 0.00 -0.39 0.00 0.00 64.86 64.10 3hbl h ILE 659 Cb 2.07 0.82 -0.06 0.00 -3.07 0.00 0.00 36.82 36.58 3hbl h ILE 659 CO 0.22 0.04 -0.21 0.45 -0.69 0.00 0.00 178.15 177.97 3hbl h HIS 660 N -0.53 -0.54 -0.06 1.37 3.86 -1.42 -0.86 115.15 116.95 3hbl h HIS 660 Ca -0.04 0.03 0.04 0.00 -1.16 0.00 0.00 60.37 59.24 3hbl h HIS 660 Cb 0.40 0.27 -0.06 0.00 1.06 0.00 0.00 27.41 29.08 3hbl h HIS 660 CO -0.03 -0.29 -0.31 -0.22 0.86 0.00 0.00 177.93 177.95 3hbl h LYS 661 N -0.24 -0.41 -0.87 2.45 1.63 -1.52 0.45 116.57 118.06 3hbl h LYS 661 Ca 0.11 0.03 0.02 0.00 -0.85 0.00 0.00 60.65 59.96 3hbl h LYS 661 Cb 0.41 0.09 -0.05 0.00 -0.60 0.00 0.00 32.23 32.09 3hbl h LYS 661 CO -0.31 -0.27 0.57 0.35 -3.45 0.00 0.00 179.45 176.34 3hbl h PHE 662 N -0.42 1.07 0.36 1.91 3.57 -1.08 -0.03 116.94 122.32 3hbl h PHE 662 Ca 0.08 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 3hbl h PHE 662 Cb 0.54 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 38.92 3hbl h PHE 662 CO -0.36 0.64 -0.17 0.28 -2.23 0.00 0.00 178.31 176.47 3hbl h VAL 663 N 1.12 0.59 -0.70 1.41 2.07 -0.74 0.13 116.25 120.13 3hbl h VAL 663 Ca 0.33 -0.56 0.15 0.00 0.82 0.00 0.00 66.70 67.44 3hbl h VAL 663 Cb -0.05 0.85 -0.13 0.00 -1.52 0.00 0.00 31.29 30.44 3hbl h VAL 663 CO -0.09 0.10 -0.09 1.56 0.02 0.00 0.00 177.57 179.08 3hbl h GLN 664 N -0.82 0.05 0.00 1.57 1.08 -0.48 0.24 115.11 116.74 3hbl h GLN 664 Ca -0.05 -0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.04 3hbl h GLN 664 Cb 0.53 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.93 3hbl h GLN 664 CO 0.08 0.03 -0.52 0.93 -0.95 0.00 0.00 178.83 178.40 3hbl h GLU 665 N 0.05 0.00 -0.34 1.46 4.39 -0.98 -2.10 114.58 117.06 3hbl h GLU 665 Ca 0.36 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.92 3hbl h GLU 665 Cb 0.59 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.23 3hbl h GLU 665 CO -0.67 0.52 -0.33 0.77 -1.16 0.00 0.00 179.01 178.15 3hbl h SER 666 N 0.00 0.88 -0.78 1.42 0.02 0.54 -2.87 113.55 112.75 3hbl h SER 666 Ca -0.01 -0.47 -0.04 0.00 -0.84 0.00 0.00 61.79 60.44 3hbl h SER 666 Cb 1.15 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 63.41 3hbl h SER 666 CO 0.07 1.16 0.33 0.00 -1.14 0.00 0.00 176.83 177.25 3hbl h ALA 667 N 0.74 1.10 -0.25 3.77 0.00 -0.43 -1.41 119.26 122.79 3hbl h ALA 667 Ca 0.06 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 3hbl h ALA 667 Cb 0.91 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3hbl h ALA 667 CO 0.08 0.65 -0.33 0.87 0.00 0.00 0.00 179.25 180.52 3hbl h LYS 668 N 1.14 0.52 -0.01 0.00 1.57 -1.38 -2.95 116.57 115.46 3hbl h LYS 668 Ca 0.27 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3hbl h LYS 668 Cb 0.18 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.48 3hbl h LYS 668 CO -0.03 0.79 -0.08 0.00 -0.57 0.00 0.00 179.45 179.56 3hbl n ALA 669 N -2.49 2.75 0.00 3.86 0.00 -1.09 -4.90 120.51 118.64 3hbl n ALA 669 Ca -0.01 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.07 3hbl n ALA 669 Cb 0.47 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.67 3hbl n ALA 669 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hbl n GLY 670 N 1.21 0.28 3.70 0.00 0.00 -1.09 -4.27 105.19 105.01 3hbl n GLY 670 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3hbl n GLY 670 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hbl s ILE 671 N -1.16 4.72 -0.13 -0.61 -1.09 -0.55 -4.43 121.20 117.96 3hbl s ILE 671 Ca 0.00 1.97 0.04 0.00 -2.23 0.00 0.00 60.65 60.42 3hbl s ILE 671 Cb 0.00 -4.26 -0.10 0.00 -1.58 0.00 0.00 42.46 36.52 3hbl s ILE 671 CO 0.00 0.08 -0.07 0.47 -1.23 0.00 0.00 174.94 174.19 3hbl n ASP 672 N 4.45 2.77 -4.10 3.58 10.43 -0.31 -4.30 116.55 129.07 3hbl n ASP 672 Ca 0.08 -0.05 -0.32 0.00 2.57 0.00 0.00 54.79 57.06 3hbl n ASP 672 Cb 0.49 0.10 -0.16 0.00 1.84 0.00 0.00 41.12 43.39 3hbl n ASP 672 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3hbl s VAL 673 N -2.27 1.99 -0.35 2.53 1.01 0.08 -0.48 120.40 122.92 3hbl s VAL 673 Ca -0.14 -0.97 -0.09 0.00 0.00 0.00 0.00 61.98 60.78 3hbl s VAL 673 Cb 0.04 -1.85 0.03 0.00 0.00 0.00 0.00 36.38 34.61 3hbl s VAL 673 CO 0.35 0.46 0.15 -0.36 0.00 0.00 0.00 175.10 175.70 3hbl s PHE 674 N 1.30 3.24 -0.58 5.22 0.08 0.10 -1.04 117.98 126.30 3hbl s PHE 674 Ca 0.03 -1.15 -0.27 0.00 0.12 0.00 0.00 56.93 55.66 3hbl s PHE 674 Cb -0.14 -2.35 0.03 0.00 -0.57 0.00 0.00 43.02 39.99 3hbl s PHE 674 CO -0.12 -0.67 1.15 0.50 -0.10 0.00 0.00 175.22 175.98 3hbl s ARG 675 N 1.49 3.47 -0.21 0.44 3.52 -0.05 -0.29 118.95 127.32 3hbl s ARG 675 Ca 0.01 0.14 -0.13 0.00 -0.13 0.00 0.00 55.73 55.62 3hbl s ARG 675 Cb -0.19 -4.03 -0.05 0.00 -1.56 0.00 0.00 34.95 29.13 3hbl s ARG 675 CO 0.05 -1.66 0.26 0.42 -0.81 0.00 0.00 175.30 173.56 3hbl s ILE 676 N 4.79 5.30 0.01 4.11 1.01 0.92 0.20 121.20 137.54 3hbl s ILE 676 Ca 0.40 0.43 0.00 0.00 0.00 0.00 0.00 60.65 61.49 3hbl s ILE 676 Cb -0.08 -3.60 -0.01 0.00 0.01 0.00 0.00 42.46 38.78 3hbl s ILE 676 CO 0.24 0.33 -0.02 0.72 0.00 0.00 0.00 174.94 176.21 3hbl s PHE 677 N 0.94 0.16 -0.14 3.97 -0.71 -0.79 -1.23 117.98 120.18 3hbl s PHE 677 Ca 0.13 -0.20 -0.06 0.00 -1.04 0.00 0.00 56.93 55.76 3hbl s PHE 677 Cb -0.13 -0.11 -0.04 0.00 -1.21 0.00 0.00 43.02 41.53 3hbl s PHE 677 CO 0.05 -0.06 0.09 0.34 -1.34 0.00 0.00 175.22 174.29 3hbl s ASP 678 N -0.55 5.91 0.00 1.98 -1.08 -1.26 -0.72 116.67 120.94 3hbl s ASP 678 Ca -0.05 0.26 0.16 0.00 -0.52 0.00 0.00 52.55 52.39 3hbl s ASP 678 Cb -0.04 -1.91 0.93 0.00 -1.46 0.00 0.00 42.92 40.44 3hbl s ASP 678 CO -0.00 0.31 1.35 -1.54 0.52 0.00 0.00 175.17 175.80 3hbl n SER 679 N 2.64 0.00 -0.01 -0.34 3.41 -1.26 -1.25 113.62 116.80 3hbl n SER 679 Ca -0.18 -0.60 0.01 0.00 -0.26 0.00 0.00 58.87 57.84 3hbl n SER 679 Cb 0.54 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.50 3hbl n SER 679 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3hbl n LEU 680 N -0.95 1.71 -2.62 1.04 4.77 -1.26 -4.45 117.00 115.25 3hbl n LEU 680 Ca 0.12 -1.79 -0.19 0.00 -0.03 0.00 0.00 56.01 54.12 3hbl n LEU 680 Cb 0.05 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 3hbl n LEU 680 CO 0.09 0.44 -0.16 0.59 -1.33 0.00 0.00 177.39 177.02 3hbl n ASN 681 N -0.50 -5.11 -4.52 -1.43 3.02 -0.38 -4.46 115.26 101.87 3hbl n ASN 681 Ca 0.01 -0.03 -0.43 0.00 -0.03 0.00 0.00 54.58 54.10 3hbl n ASN 681 Cb 0.32 -4.25 -0.04 0.00 -0.61 0.00 0.00 39.78 35.20 3hbl n ASN 681 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 3hbl s TRP 682 N -2.92 2.80 0.21 3.10 -0.00 -1.26 -4.94 118.94 115.93 3hbl s TRP 682 Ca 0.09 0.01 -0.10 0.00 -0.00 0.00 0.00 56.10 56.11 3hbl s TRP 682 Cb -0.04 -4.07 0.18 0.00 -0.00 0.00 0.00 33.47 29.54 3hbl s TRP 682 CO 0.12 -1.34 1.88 0.28 -0.00 0.00 0.00 176.95 177.88 3hbl h VAL 683 N 6.03 1.17 -0.31 5.86 2.07 -1.96 -2.54 116.25 126.57 3hbl h VAL 683 Ca -0.26 -0.35 0.09 0.00 0.82 0.00 0.00 66.70 67.00 3hbl h VAL 683 Cb 1.07 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 3hbl h VAL 683 CO 1.09 0.19 0.26 0.44 0.02 0.00 0.00 177.57 179.56 3hbl h ASP 684 N 1.02 0.00 -0.03 0.57 5.19 -2.01 0.45 116.42 121.61 3hbl h ASP 684 Ca 0.29 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.70 3hbl h ASP 684 Cb -0.07 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.44 3hbl h ASP 684 CO -0.08 0.00 0.00 1.67 -3.12 0.00 0.00 179.24 177.71 3hbl n GLN 685 N -4.14 1.23 0.00 3.56 7.27 -0.96 -3.51 117.38 120.83 3hbl n GLN 685 Ca 0.04 -0.34 0.09 0.00 0.07 0.00 0.00 57.00 56.86 3hbl n GLN 685 Cb 0.42 -1.43 0.06 0.00 2.41 0.00 0.00 30.24 31.70 3hbl n GLN 685 CO 0.00 0.00 0.00 -1.33 0.07 0.00 0.00 177.06 175.80 3hbl n MET 686 N -0.53 1.51 -0.02 3.69 2.81 0.16 -4.20 117.12 120.55 3hbl n MET 686 Ca 0.19 -1.46 -0.13 0.00 -1.81 0.00 0.00 57.70 54.50 3hbl n MET 686 Cb 0.18 -1.34 -0.09 0.00 -0.71 0.00 0.00 33.22 31.26 3hbl n MET 686 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 3hbl h LYS 687 N 3.27 0.07 0.39 0.03 1.79 -1.60 -2.78 116.57 117.74 3hbl h LYS 687 Ca 0.00 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.43 3hbl h LYS 687 Cb 0.72 -0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.35 3hbl h LYS 687 CO 0.00 0.46 -0.41 0.28 -1.08 0.00 0.00 179.45 178.71 3hbl h VAL 688 N -0.33 0.00 -0.64 0.50 2.07 -1.84 -0.26 116.25 115.75 3hbl h VAL 688 Ca 0.01 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.66 3hbl h VAL 688 Cb 0.44 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.11 3hbl h VAL 688 CO 0.00 0.00 0.02 0.00 0.02 0.00 0.00 177.57 177.61 3hbl h ALA 689 N -1.07 0.65 0.24 1.67 0.00 -1.80 -0.54 119.26 118.41 3hbl h ALA 689 Ca -0.05 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3hbl h ALA 689 Cb 0.70 0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 3hbl h ALA 689 CO -0.06 -0.39 -0.49 -0.97 0.00 0.00 0.00 179.25 177.34 3hbl h ASN 690 N 0.13 -1.43 -0.29 0.00 -1.24 -1.19 -0.55 115.58 111.01 3hbl h ASN 690 Ca 0.34 0.14 0.07 0.00 0.71 0.00 0.00 56.30 57.55 3hbl h ASN 690 Cb 0.55 0.51 -0.08 0.00 0.73 0.00 0.00 38.32 40.03 3hbl h ASN 690 CO -0.53 -0.56 -0.27 -0.33 -1.29 0.00 0.00 177.43 174.44 3hbl h GLU 691 N -0.80 -0.25 -0.44 6.67 5.08 -0.60 -0.93 114.58 123.31 3hbl h GLU 691 Ca -0.03 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.44 3hbl h GLU 691 Cb 0.75 0.06 -0.08 0.00 0.50 0.00 0.00 28.75 29.98 3hbl h GLU 691 CO -0.20 -0.17 -0.04 0.00 -1.00 0.00 0.00 179.01 177.61 3hbl h ALA 692 N 0.77 0.37 -0.85 3.43 0.00 -0.87 -0.06 119.26 122.05 3hbl h ALA 692 Ca 0.15 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 3hbl h ALA 692 Cb 0.49 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 3hbl h ALA 692 CO -0.43 -0.41 0.52 0.28 0.00 0.00 0.00 179.25 179.21 3hbl h VAL 693 N 0.07 1.23 -0.65 0.00 2.07 -0.43 -2.23 116.25 116.31 3hbl h VAL 693 Ca 0.22 -0.49 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 3hbl h VAL 693 Cb 0.32 0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.09 3hbl h VAL 693 CO -0.40 0.24 0.27 1.56 0.02 0.00 0.00 177.57 179.26 3hbl h GLN 694 N 1.16 0.95 0.00 1.57 1.08 0.18 -2.17 115.11 117.88 3hbl h GLN 694 Ca 0.31 -0.15 -0.02 0.00 -1.45 0.00 0.00 58.65 57.33 3hbl h GLN 694 Cb -0.07 -0.17 -0.00 0.00 -0.05 0.00 0.00 27.48 27.20 3hbl h GLN 694 CO -0.06 0.77 -0.11 0.93 -0.95 0.00 0.00 178.83 179.41 3hbl h GLU 695 N 0.94 0.00 -0.01 1.46 5.08 -0.49 -2.10 114.58 119.46 3hbl h GLU 695 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 3hbl h GLU 695 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 3hbl h GLU 695 CO -0.02 0.11 -0.20 0.00 -1.00 0.00 0.00 179.01 177.89 3hbl n ALA 696 N -2.18 2.96 -2.57 3.43 0.00 -0.84 -4.94 120.51 116.38 3hbl n ALA 696 Ca -0.00 -0.37 -0.18 0.00 0.00 0.00 0.00 53.44 52.88 3hbl n ALA 696 Cb 0.32 -1.18 0.01 0.00 0.00 0.00 0.00 19.45 18.60 3hbl n ALA 696 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hbl n GLY 697 N 1.31 -0.34 3.79 0.00 0.00 -0.79 -5.02 105.19 104.15 3hbl n GLY 697 Ca 0.13 -0.10 -0.22 0.00 0.00 0.00 0.00 46.02 45.83 3hbl n GLY 697 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hbl s LYS 698 N -5.14 2.44 -0.18 1.61 -0.14 -1.07 -4.61 119.74 112.64 3hbl s LYS 698 Ca 0.11 -1.56 -0.29 0.00 -1.36 0.00 0.00 55.97 52.86 3hbl s LYS 698 Cb -0.05 -2.24 -0.01 0.00 -1.68 0.00 0.00 37.83 33.86 3hbl s LYS 698 CO 0.13 -0.02 1.16 0.42 -0.76 0.00 0.00 175.35 176.29 3hbl s ILE 699 N -2.45 4.45 -0.27 2.17 1.01 0.37 -4.57 121.20 121.90 3hbl s ILE 699 Ca 0.42 1.76 -0.08 0.00 0.00 0.00 0.00 60.65 62.74 3hbl s ILE 699 Cb -0.02 -4.13 -0.03 0.00 0.01 0.00 0.00 42.46 38.29 3hbl s ILE 699 CO 0.25 -0.14 0.11 -0.55 0.00 0.00 0.00 174.94 174.60 3hbl s SER 700 N 1.62 5.38 -0.32 3.58 0.15 -1.26 -0.72 113.70 122.12 3hbl s SER 700 Ca 0.50 -0.26 -0.10 0.00 0.70 0.00 0.00 55.95 56.80 3hbl s SER 700 Cb -0.19 -1.97 -0.00 0.00 -1.71 0.00 0.00 66.02 62.14 3hbl s SER 700 CO 0.12 -0.08 0.17 -0.70 1.20 0.00 0.00 173.24 173.95 3hbl s GLU 701 N 1.64 3.26 -0.14 5.44 2.12 0.60 -1.22 118.70 130.40 3hbl s GLU 701 Ca 0.06 -0.77 -0.20 0.00 0.36 0.00 0.00 54.97 54.42 3hbl s GLU 701 Cb -0.16 -3.61 -0.04 0.00 0.26 0.00 0.00 34.13 30.59 3hbl s GLU 701 CO 0.05 -0.46 0.56 0.20 -0.54 0.00 0.00 175.26 175.07 3hbl s GLY 702 N 1.61 2.29 -0.12 -1.50 0.00 0.11 -0.05 107.32 109.66 3hbl s GLY 702 Ca 0.04 -0.20 0.01 0.00 0.00 0.00 0.00 44.72 44.57 3hbl s GLY 702 CO 0.07 1.03 -0.16 -1.59 0.00 0.00 0.00 173.10 172.44 3hbl s THR 703 N 1.16 2.79 -0.26 0.90 2.01 -0.37 -0.48 115.64 121.39 3hbl s THR 703 Ca 0.28 -0.76 -0.11 0.00 0.31 0.00 0.00 61.69 61.41 3hbl s THR 703 Cb -0.16 -2.15 -0.05 0.00 0.01 0.00 0.00 72.50 70.15 3hbl s THR 703 CO 0.11 0.53 0.19 -0.63 -0.69 0.00 0.00 174.62 174.14 3hbl s ILE 704 N 0.33 5.33 0.11 1.82 1.01 0.64 -4.58 121.20 125.85 3hbl s ILE 704 Ca -0.13 0.20 -0.24 0.00 0.00 0.00 0.00 60.65 60.48 3hbl s ILE 704 Cb -0.16 -3.53 -0.07 0.00 0.01 0.00 0.00 42.46 38.71 3hbl s ILE 704 CO 0.06 0.29 0.73 0.00 0.00 0.00 0.00 174.94 176.03 3hbl s TYR 706 N -0.79 3.53 0.31 0.00 5.04 -0.01 -4.91 117.35 120.52 3hbl s TYR 706 Ca 0.35 0.86 0.05 0.00 -2.44 0.00 0.00 57.07 55.89 3hbl s TYR 706 Cb -0.22 -2.49 -0.03 0.00 0.35 0.00 0.00 41.96 39.58 3hbl s TYR 706 CO 0.24 0.24 0.27 0.95 -1.34 0.00 0.00 175.55 175.91 3hbl s THR 707 N 0.39 0.00 0.00 4.34 -4.23 -1.26 -4.64 115.64 110.24 3hbl s THR 707 Ca 0.24 -1.95 0.00 0.00 -1.18 0.00 0.00 61.69 58.80 3hbl s THR 707 Cb -0.15 -2.51 0.00 0.00 1.34 0.00 0.00 72.50 71.18 3hbl s THR 707 CO 0.10 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.79 3hbl n GLY 708 N -0.55 -0.17 3.16 3.99 0.00 -1.26 -4.78 105.19 105.58 3hbl n GLY 708 Ca 0.06 -1.02 -0.00 0.00 0.00 0.00 0.00 46.02 45.05 3hbl n GLY 708 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hbl s ASP 709 N -4.00 -1.28 0.32 1.61 3.68 -1.26 -4.87 116.67 110.87 3hbl s ASP 709 Ca 0.00 -0.73 0.19 0.00 2.13 0.00 0.00 52.55 54.14 3hbl s ASP 709 Cb 0.00 1.84 1.02 0.00 -1.45 0.00 0.00 42.92 44.33 3hbl s ASP 709 CO 0.00 -0.20 1.54 2.30 0.13 0.00 0.00 175.17 178.95 3hbl n ILE 710 N 4.54 0.90 0.17 4.11 -5.35 -1.26 -0.37 119.36 122.09 3hbl n ILE 710 Ca 0.10 0.74 0.04 0.00 -0.27 0.00 0.00 62.75 63.36 3hbl n ILE 710 Cb 0.55 -1.74 0.22 0.00 -1.74 0.00 0.00 39.64 36.94 3hbl n ILE 710 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 3hbl h LEU 711 N 0.00 0.00 -7.88 7.28 3.38 -1.95 -3.43 115.31 112.71 3hbl h LEU 711 Ca 0.00 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.29 3hbl h LEU 711 Cb 0.19 0.00 -0.36 0.00 0.09 0.00 0.00 40.66 40.59 3hbl h LEU 711 CO 0.00 0.44 -0.68 0.21 0.09 0.00 0.00 178.44 178.50 3hbl s ASN 712 N -6.44 4.89 0.11 -0.43 2.47 0.50 -4.98 114.94 111.05 3hbl s ASN 712 Ca 0.01 -1.69 0.14 0.00 0.42 0.00 0.00 52.86 51.74 3hbl s ASN 712 Cb 0.10 -1.70 0.62 0.00 -1.45 0.00 0.00 41.25 38.82 3hbl s ASN 712 CO 0.71 -0.35 1.43 -2.65 -3.72 0.00 0.00 177.10 172.52 3hbl n PRO 713 N 4.50 0.06 0.04 0.43 -0.02 -1.26 -1.96 135.00 136.79 3hbl n PRO 713 Ca -0.07 0.41 0.12 0.00 -2.02 0.00 0.00 63.50 61.95 3hbl n PRO 713 Cb 0.42 -1.65 0.20 0.00 -0.02 0.00 0.00 33.50 32.45 3hbl n PRO 713 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3hbl n GLU 714 N -1.78 0.20 0.22 -0.52 1.02 -1.26 -4.34 120.64 114.18 3hbl n GLU 714 Ca 0.02 0.06 -0.13 0.00 -0.02 0.00 0.00 57.16 57.08 3hbl n GLU 714 Cb 0.12 -1.63 -0.07 0.00 -0.02 0.00 0.00 31.44 29.84 3hbl n GLU 714 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 3hbl h ARG 715 N 0.00 -0.56 -3.03 3.49 9.65 -1.71 -3.46 114.38 118.75 3hbl h ARG 715 Ca 0.00 0.04 -0.12 0.00 -1.10 0.00 0.00 59.98 58.80 3hbl h ARG 715 Cb 0.67 0.13 -0.20 0.00 -1.39 0.00 0.00 29.97 29.18 3hbl h ARG 715 CO 0.00 -0.26 -0.27 0.45 2.80 0.00 0.00 179.97 182.69 3hbl s SER 716 N -4.90 -0.19 0.00 -3.80 0.15 -1.26 -4.99 113.70 98.71 3hbl s SER 716 Ca -0.13 0.08 0.29 0.00 0.70 0.00 0.00 55.95 56.89 3hbl s SER 716 Cb 0.02 0.32 1.21 0.00 -1.71 0.00 0.00 66.02 65.85 3hbl s SER 716 CO 0.46 -0.46 1.84 0.59 1.20 0.00 0.00 173.24 176.88 3hbl n ASN 717 N 1.24 0.59 -0.07 5.45 4.13 -1.26 -4.49 115.26 120.84 3hbl n ASN 717 Ca -0.21 -0.72 -0.08 0.00 1.68 0.00 0.00 54.58 55.25 3hbl n ASN 717 Cb 0.56 -0.04 -0.03 0.00 -1.54 0.00 0.00 39.78 38.73 3hbl n ASN 717 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 3hbl n ILE 717 N -0.83 1.46 -1.66 2.41 -0.00 -1.26 -4.73 119.36 114.75 3hbl n ILE 717 Ca 0.15 0.18 -0.41 0.00 -0.00 0.00 0.00 62.75 62.67 3hbl n ILE 717 Cb 0.28 -2.24 -0.01 0.00 -0.00 0.00 0.00 39.64 37.67 3hbl n ILE 717 CO 0.00 0.00 0.00 -1.22 -0.00 0.00 0.00 176.55 175.33 3hbl n TYR 718 N -4.32 3.10 -3.63 1.39 4.02 -1.26 -4.53 117.16 111.92 3hbl n TYR 718 Ca -0.12 -2.99 -0.21 0.00 -0.01 0.00 0.00 57.90 54.57 3hbl n TYR 718 Cb 0.45 -2.46 -0.03 0.00 -0.02 0.00 0.00 39.34 37.28 3hbl n TYR 718 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 3hbl s THR 719 N 2.46 3.08 0.35 -0.72 -4.23 -1.26 -4.45 115.64 110.88 3hbl s THR 719 Ca 0.54 -1.32 0.14 0.00 -1.18 0.00 0.00 61.69 59.87 3hbl s THR 719 Cb 0.15 -3.09 0.34 0.00 1.34 0.00 0.00 72.50 71.25 3hbl s THR 719 CO -0.07 -0.08 1.70 0.25 -0.54 0.00 0.00 174.62 175.88 3hbl h LEU 720 N 1.09 0.55 -0.78 4.79 5.85 -1.90 0.30 115.31 125.21 3hbl h LEU 720 Ca -0.43 0.15 -0.10 0.00 0.84 0.00 0.00 57.88 58.34 3hbl h LEU 720 Cb 1.26 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.35 3hbl h LEU 720 CO 0.57 -0.01 -0.46 -0.08 -0.34 0.00 0.00 178.44 178.11 3hbl h GLU 721 N 0.42 0.00 -0.30 1.25 4.57 -1.95 -2.45 114.58 116.12 3hbl h GLU 721 Ca 0.69 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.82 3hbl h GLU 721 Cb 1.54 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 30.12 3hbl h GLU 721 CO -0.49 0.46 0.01 -0.92 -1.18 0.00 0.00 179.01 176.89 3hbl h TYR 722 N 0.00 0.57 -0.32 0.92 3.20 -1.18 -1.56 116.97 118.60 3hbl h TYR 722 Ca -0.00 -0.10 -0.13 0.00 3.14 0.00 0.00 58.73 61.64 3hbl h TYR 722 Cb 1.02 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 39.13 3hbl h TYR 722 CO 0.00 0.65 -0.32 1.88 -1.64 0.00 0.00 178.16 178.73 3hbl h TYR 723 N 0.33 0.93 0.06 -3.82 -1.99 -1.41 -0.86 116.97 110.21 3hbl h TYR 723 Ca 0.09 -0.28 0.02 0.00 2.00 0.00 0.00 58.73 60.56 3hbl h TYR 723 Cb 0.42 -0.20 -0.03 0.00 2.00 0.00 0.00 36.73 38.92 3hbl h TYR 723 CO 0.03 1.05 -0.22 0.28 -0.00 0.00 0.00 178.16 179.31 3hbl h VAL 724 N 0.54 0.50 0.09 -2.88 2.07 -1.51 0.22 116.25 115.29 3hbl h VAL 724 Ca 0.05 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.59 3hbl h VAL 724 Cb 0.90 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 3hbl h VAL 724 CO 0.08 0.00 -0.23 0.50 0.02 0.00 0.00 177.57 177.94 3hbl h LYS 725 N -0.38 -0.40 -0.53 1.57 3.64 -1.16 -1.65 116.57 117.67 3hbl h LYS 725 Ca 0.04 0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.52 3hbl h LYS 725 Cb 0.43 0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 32.28 3hbl h LYS 725 CO -0.16 -0.27 0.21 1.25 -2.27 0.00 0.00 179.45 178.22 3hbl h LEU 726 N -0.41 0.24 -0.46 5.20 5.85 -1.11 -2.33 115.31 122.28 3hbl h LEU 726 Ca 0.03 0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.87 3hbl h LEU 726 Cb 0.45 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.45 3hbl h LEU 726 CO -0.15 0.16 0.17 0.00 -0.34 0.00 0.00 178.44 178.29 3hbl h ALA 727 N 1.34 0.56 -0.06 1.25 0.00 -0.21 -1.85 119.26 120.29 3hbl h ALA 727 Ca 0.25 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.16 3hbl h ALA 727 Cb 0.25 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3hbl h ALA 727 CO -0.24 -0.22 -0.22 0.87 0.00 0.00 0.00 179.25 179.45 3hbl h LYS 728 N 0.34 0.10 -0.33 0.00 1.57 -0.95 -1.09 116.57 116.21 3hbl h LYS 728 Ca 0.22 -0.02 -0.15 0.00 -1.87 0.00 0.00 60.65 58.83 3hbl h LYS 728 Cb 0.21 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 3hbl h LYS 728 CO -0.22 0.31 -0.39 1.49 -0.57 0.00 0.00 179.45 180.08 3hbl h GLU 729 N 0.09 0.78 -0.16 3.15 4.81 -0.99 -1.50 114.58 120.76 3hbl h GLU 729 Ca 0.02 -0.40 -0.11 0.00 -0.13 0.00 0.00 59.36 58.73 3hbl h GLU 729 Cb 0.44 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 3hbl h GLU 729 CO 0.03 1.03 -0.38 -0.07 -0.73 0.00 0.00 179.01 178.89 3hbl h LEU 730 N 0.64 0.36 -0.35 1.64 3.38 -0.79 -0.84 115.31 119.34 3hbl h LEU 730 Ca 0.05 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 3hbl h LEU 730 Cb 0.94 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 3hbl h LEU 730 CO 0.09 0.71 0.04 -0.08 0.09 0.00 0.00 178.44 179.29 3hbl h GLU 731 N 0.29 0.60 0.00 1.13 4.81 -1.10 -2.32 114.58 117.99 3hbl h GLU 731 Ca 0.03 -0.17 -0.05 0.00 -0.13 0.00 0.00 59.36 59.04 3hbl h GLU 731 Cb 0.80 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.11 3hbl h GLU 731 CO 0.06 0.68 -0.25 0.00 -0.73 0.00 0.00 179.01 178.78 3hbl h ARG 732 N 0.43 0.00 0.00 1.92 3.08 -1.11 -0.56 114.38 118.14 3hbl h ARG 732 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 3hbl h ARG 732 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.44 3hbl h ARG 732 CO 0.01 0.25 0.00 0.39 -1.07 0.00 0.00 179.97 179.55 3hbl n GLU 733 N -3.62 0.19 -2.12 0.04 -0.58 -0.34 -4.93 120.64 109.28 3hbl n GLU 733 Ca -0.01 0.38 -0.00 0.00 -0.42 0.00 0.00 57.16 57.10 3hbl n GLU 733 Cb 0.38 -1.83 0.00 0.00 -0.57 0.00 0.00 31.44 29.42 3hbl n GLU 733 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hbl n GLY 734 N 0.20 0.48 3.77 0.62 0.00 -0.22 -5.03 105.19 105.01 3hbl n GLY 734 Ca 0.03 -0.82 -0.40 0.00 0.00 0.00 0.00 46.02 44.82 3hbl n GLY 734 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hbl s PHE 735 N -2.24 3.17 -0.00 1.61 0.40 -1.11 -4.95 117.98 114.86 3hbl s PHE 735 Ca 0.00 1.50 0.17 0.00 -0.60 0.00 0.00 56.93 58.01 3hbl s PHE 735 Cb -0.00 -3.55 0.37 0.00 0.51 0.00 0.00 43.02 40.35 3hbl s PHE 735 CO 0.00 -1.48 1.58 0.45 0.70 0.00 0.00 175.22 176.48 3hbl h HIS 736 N 3.37 0.00 -3.72 0.36 3.86 -1.52 -3.45 115.15 114.04 3hbl h HIS 736 Ca -0.48 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 58.55 3hbl h HIS 736 Cb 1.22 0.00 -0.23 0.00 1.06 0.00 0.00 27.41 29.46 3hbl h HIS 736 CO 0.56 0.44 -0.63 0.42 0.86 0.00 0.00 177.93 179.59 3hbl s ILE 737 N -3.25 0.06 -0.24 2.45 1.01 -1.21 -4.33 121.20 115.69 3hbl s ILE 737 Ca 0.02 -0.53 -0.09 0.00 0.00 0.00 0.00 60.65 60.06 3hbl s ILE 737 Cb 0.09 -0.24 -0.04 0.00 0.01 0.00 0.00 42.46 42.28 3hbl s ILE 737 CO 0.71 -0.29 0.12 -0.22 0.00 0.00 0.00 174.94 175.26 3hbl s LEU 738 N -0.90 3.78 -0.11 2.97 2.96 -0.64 0.09 118.68 126.84 3hbl s LEU 738 Ca -0.10 -0.04 -0.03 0.00 -0.22 0.00 0.00 54.13 53.74 3hbl s LEU 738 Cb -0.06 -2.01 -0.03 0.00 0.50 0.00 0.00 46.19 44.58 3hbl s LEU 738 CO 0.00 0.02 0.00 0.00 -1.32 0.00 0.00 176.35 175.05 3hbl s ALA 739 N 1.32 3.26 -0.28 5.97 0.00 0.36 0.63 121.76 133.02 3hbl s ALA 739 Ca 0.06 -0.80 -0.08 0.00 0.00 0.00 0.00 51.96 51.14 3hbl s ALA 739 Cb -0.15 -1.54 -0.02 0.00 0.00 0.00 0.00 23.12 21.41 3hbl s ALA 739 CO 0.05 0.49 0.11 0.42 0.00 0.00 0.00 175.76 176.83 3hbl s ILE 740 N -0.56 4.47 -0.46 0.00 -1.09 -0.27 -0.26 121.20 123.03 3hbl s ILE 740 Ca 0.09 -0.27 -0.12 0.00 -2.23 0.00 0.00 60.65 58.13 3hbl s ILE 740 Cb -0.12 -3.17 0.09 0.00 -1.58 0.00 0.00 42.46 37.68 3hbl s ILE 740 CO 0.02 0.22 0.34 -0.75 -1.23 0.00 0.00 174.94 173.54 3hbl s LYS 741 N 1.62 2.72 -1.13 2.79 2.20 0.55 -0.43 119.74 128.06 3hbl s LYS 741 Ca 0.06 -1.53 -0.07 0.00 -0.36 0.00 0.00 55.97 54.07 3hbl s LYS 741 Cb -0.16 -3.97 0.27 0.00 -1.51 0.00 0.00 37.83 32.46 3hbl s LYS 741 CO 0.05 -1.07 1.49 -3.47 -0.36 0.00 0.00 175.35 171.99 3hbl n ASP 742 N 5.03 5.95 0.17 1.43 2.03 -0.10 -0.83 116.55 130.23 3hbl n ASP 742 Ca -0.11 -3.27 0.12 0.00 0.52 0.00 0.00 54.79 52.06 3hbl n ASP 742 Cb 0.42 -1.35 0.60 0.00 -0.72 0.00 0.00 41.12 40.08 3hbl n ASP 742 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hbl h MET 743 N 5.81 0.00 -0.13 -0.67 -0.00 -1.82 -1.85 114.93 116.26 3hbl h MET 743 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.94 3hbl h MET 743 Cb 0.68 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.28 3hbl h MET 743 CO 1.33 0.00 0.00 0.00 -0.00 0.00 0.00 176.91 178.24 3hbl n ALA 744 N -1.81 2.27 -3.30 -3.00 0.00 -1.26 -1.67 120.51 111.73 3hbl n ALA 744 Ca -0.00 -0.87 -0.17 0.00 0.00 0.00 0.00 53.44 52.40 3hbl n ALA 744 Cb 0.12 -0.26 0.07 0.00 0.00 0.00 0.00 19.45 19.38 3hbl n ALA 744 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hbl n GLY 745 N 0.25 -0.24 0.09 0.00 0.00 -0.70 -4.84 105.19 99.76 3hbl n GLY 745 Ca 0.06 0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.24 3hbl n GLY 745 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hbl n LEU 746 N -3.93 0.73 -4.55 0.99 4.77 -1.26 -4.66 117.00 109.09 3hbl n LEU 746 Ca -0.08 0.23 -0.39 0.00 -0.03 0.00 0.00 56.01 55.74 3hbl n LEU 746 Cb 0.58 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.55 3hbl n LEU 746 CO 0.51 -0.11 1.48 -0.22 -1.33 0.00 0.00 177.39 177.72 3hbl s LEU 747 N -4.86 3.25 0.45 2.23 2.96 -1.26 -4.93 118.68 116.52 3hbl s LEU 747 Ca 0.01 0.07 -0.22 0.00 -0.22 0.00 0.00 54.13 53.76 3hbl s LEU 747 Cb 0.11 -2.54 -0.08 0.00 0.50 0.00 0.00 46.19 44.18 3hbl s LEU 747 CO 0.79 -2.24 1.07 -0.54 -1.32 0.00 0.00 176.35 174.10 3hbl s LYS 748 N 6.67 3.92 0.14 1.98 1.02 -1.26 -4.73 119.74 127.48 3hbl s LYS 748 Ca 0.58 1.50 -0.23 0.00 0.02 0.00 0.00 55.97 57.85 3hbl s LYS 748 Cb -0.11 -2.32 -0.00 0.00 -0.52 0.00 0.00 37.83 34.87 3hbl s LYS 748 CO 0.18 -0.35 1.26 -2.30 -0.92 0.00 0.00 175.35 173.22 3hbl n PRO 749 N -0.54 -0.33 -0.13 -1.68 -0.02 -1.26 -0.10 135.00 130.95 3hbl n PRO 749 Ca 0.07 1.24 -0.03 0.00 -2.02 0.00 0.00 63.50 62.77 3hbl n PRO 749 Cb 0.50 -1.83 0.20 0.00 -0.02 0.00 0.00 33.50 32.35 3hbl n PRO 749 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3hbl h LYS 750 N 0.00 0.83 -0.94 -0.52 3.11 -1.92 -2.09 116.57 115.04 3hbl h LYS 750 Ca 0.16 -0.16 0.01 0.00 -2.81 0.00 0.00 60.65 57.86 3hbl h LYS 750 Cb 0.37 -0.13 -0.05 0.00 -1.00 0.00 0.00 32.23 31.42 3hbl h LYS 750 CO -0.78 0.73 0.62 0.00 -2.81 0.00 0.00 179.45 177.21 3hbl h ALA 751 N 1.36 1.19 0.14 5.00 0.00 -0.86 -1.48 119.26 124.61 3hbl h ALA 751 Ca 0.18 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3hbl h ALA 751 Cb 0.26 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3hbl h ALA 751 CO -0.01 0.58 -0.13 0.00 0.00 0.00 0.00 179.25 179.69 3hbl h ALA 752 N 1.35 -0.26 -0.84 0.00 0.00 -0.20 0.18 119.26 119.48 3hbl h ALA 752 Ca 0.35 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3hbl h ALA 752 Cb -0.13 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 3hbl h ALA 752 CO -0.08 -0.67 0.54 -0.92 0.00 0.00 0.00 179.25 178.12 3hbl h TYR 753 N -0.29 1.08 0.01 0.00 3.20 -1.19 -0.86 116.97 118.91 3hbl h TYR 753 Ca 0.00 0.01 -0.23 0.00 3.14 0.00 0.00 58.73 61.66 3hbl h TYR 753 Cb 0.28 -0.36 0.00 0.00 1.54 0.00 0.00 36.73 38.19 3hbl h TYR 753 CO -0.12 0.70 -0.96 0.93 -1.64 0.00 0.00 178.16 177.06 3hbl h GLU 754 N 1.15 0.41 -0.17 1.82 5.08 -0.99 -2.89 114.58 119.00 3hbl h GLU 754 Ca 0.31 -0.45 -0.12 0.00 -1.00 0.00 0.00 59.36 58.09 3hbl h GLU 754 Cb -0.10 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.29 3hbl h GLU 754 CO -0.06 1.12 -0.38 1.25 -1.00 0.00 0.00 179.01 179.94 3hbl h LEU 755 N 0.23 0.63 -0.07 1.33 5.85 -0.23 -2.80 115.31 120.24 3hbl h LEU 755 Ca -0.08 -0.56 -0.04 0.00 0.84 0.00 0.00 57.88 58.04 3hbl h LEU 755 Cb 1.60 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 42.45 3hbl h LEU 755 CO 0.17 1.07 -0.10 0.40 -0.34 0.00 0.00 178.44 179.64 3hbl h ILE 756 N 0.20 1.39 -0.51 4.05 1.08 -1.30 -1.29 117.51 121.14 3hbl h ILE 756 Ca 0.00 -1.33 0.10 0.00 -0.39 0.00 0.00 64.86 63.24 3hbl h ILE 756 Cb 0.98 2.12 -0.10 0.00 -3.07 0.00 0.00 36.82 36.75 3hbl h ILE 756 CO 0.08 0.37 -0.24 1.23 -0.69 0.00 0.00 178.15 178.91 3hbl h GLY 757 N -0.28 0.10 0.99 5.37 0.00 -1.59 0.43 103.07 108.09 3hbl h GLY 757 Ca 0.01 0.30 -0.02 0.00 0.00 0.00 0.00 47.33 47.63 3hbl h GLY 757 CO 0.02 -0.22 0.29 0.83 0.00 0.00 0.00 176.54 177.47 3hbl h GLU 758 N -0.12 0.80 -0.27 4.80 4.39 -1.50 -2.61 114.58 120.07 3hbl h GLU 758 Ca 0.23 -0.11 -0.08 0.00 0.34 0.00 0.00 59.36 59.75 3hbl h GLU 758 Cb 0.49 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 3hbl h GLU 758 CO -0.58 0.63 -0.17 -0.07 -1.16 0.00 0.00 179.01 177.67 3hbl h LEU 759 N 0.76 0.47 -0.15 1.33 3.38 -0.02 0.14 115.31 121.21 3hbl h LEU 759 Ca 0.20 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 3hbl h LEU 759 Cb 0.08 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3hbl h LEU 759 CO -0.03 0.65 0.08 0.11 0.09 0.00 0.00 178.44 179.34 3hbl h LYS 760 N 0.44 0.22 -0.59 1.13 1.79 0.08 -2.31 116.57 117.32 3hbl h LYS 760 Ca 0.08 -0.03 -0.08 0.00 -2.18 0.00 0.00 60.65 58.44 3hbl h LYS 760 Cb 0.54 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.13 3hbl h LYS 760 CO 0.04 0.25 0.06 0.77 -1.08 0.00 0.00 179.45 179.48 3hbl h SER 761 N 0.13 0.95 -0.02 0.86 0.02 -1.18 -3.33 113.55 110.98 3hbl h SER 761 Ca 0.05 -0.23 -0.10 0.00 -0.84 0.00 0.00 61.79 60.67 3hbl h SER 761 Cb 0.10 -0.25 0.01 0.00 0.14 0.00 0.00 62.40 62.39 3hbl h SER 761 CO -0.01 0.97 -0.38 0.00 -1.14 0.00 0.00 176.83 176.27 3hbl h ALA 762 N 1.14 0.07 -2.20 3.77 0.00 -0.90 -3.46 119.26 117.68 3hbl h ALA 762 Ca 0.18 -0.49 -0.58 0.00 0.00 0.00 0.00 54.91 54.02 3hbl h ALA 762 Cb 0.45 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 18.15 3hbl h ALA 762 CO 0.02 0.20 -0.69 0.14 0.00 0.00 0.00 179.25 178.92 3hbl s VAL 763 N -3.29 3.07 -0.94 0.00 -7.23 -0.88 -4.96 120.40 106.18 3hbl s VAL 763 Ca -0.15 -2.10 0.23 0.00 -1.81 0.00 0.00 61.98 58.15 3hbl s VAL 763 Cb 0.02 -2.64 -0.12 0.00 0.56 0.00 0.00 36.38 34.20 3hbl s VAL 763 CO 0.78 -0.38 1.12 0.47 -0.31 0.00 0.00 175.10 176.78 3hbl n ASP 765 N -0.79 0.74 -4.75 4.85 10.43 -1.26 -4.60 116.55 121.16 3hbl n ASP 765 Ca -0.06 -0.59 -0.39 0.00 2.57 0.00 0.00 54.79 56.33 3hbl n ASP 765 Cb 0.59 0.68 0.04 0.00 1.84 0.00 0.00 41.12 44.27 3hbl n ASP 765 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3hbl s LEU 766 N -3.13 3.90 0.42 0.64 1.02 -1.26 -5.00 118.68 115.27 3hbl s LEU 766 Ca 0.09 2.80 -0.24 0.00 0.02 0.00 0.00 54.13 56.79 3hbl s LEU 766 Cb 0.16 -4.21 -0.08 0.00 0.02 0.00 0.00 46.19 42.09 3hbl s LEU 766 CO 0.79 -1.49 1.15 -2.16 0.02 0.00 0.00 176.35 174.66 3hbl s PRO 767 N -2.82 3.99 -0.22 1.29 0.04 -1.26 -4.82 135.00 131.20 3hbl s PRO 767 Ca 0.69 1.78 -0.09 0.00 0.04 0.00 0.00 61.00 63.42 3hbl s PRO 767 Cb -0.41 -2.59 -0.05 0.00 0.04 0.00 0.00 34.50 31.50 3hbl s PRO 767 CO 0.49 -0.36 0.12 0.42 0.04 0.00 0.00 177.00 177.72 3hbl s ILE 768 N -1.48 5.09 -0.24 0.56 1.01 -1.26 -1.62 121.20 123.26 3hbl s ILE 768 Ca 0.59 0.08 -0.02 0.00 0.00 0.00 0.00 60.65 61.30 3hbl s ILE 768 Cb -0.29 -3.35 0.02 0.00 0.01 0.00 0.00 42.46 38.85 3hbl s ILE 768 CO 0.36 0.38 -0.07 -2.28 0.00 0.00 0.00 174.94 173.33 3hbl s HIS 769 N 0.88 3.04 -0.20 3.97 2.46 0.21 -1.76 115.29 123.88 3hbl s HIS 769 Ca 0.06 -1.51 -0.06 0.00 0.47 0.00 0.00 55.06 54.02 3hbl s HIS 769 Cb -0.13 -2.05 -0.03 0.00 -0.13 0.00 0.00 32.58 30.24 3hbl s HIS 769 CO 0.03 -0.72 0.02 -1.17 -2.47 0.00 0.00 174.74 170.43 3hbl s LEU 770 N 1.33 3.44 -0.17 8.88 2.96 0.18 -1.12 118.68 134.19 3hbl s LEU 770 Ca 0.01 -0.11 0.01 0.00 -0.22 0.00 0.00 54.13 53.82 3hbl s LEU 770 Cb -0.16 -1.87 0.02 0.00 0.50 0.00 0.00 46.19 44.67 3hbl s LEU 770 CO -0.05 0.10 -0.19 -2.28 -1.32 0.00 0.00 176.35 172.60 3hbl s HIS 771 N 0.82 2.66 0.18 5.38 5.65 0.43 -1.64 115.29 128.78 3hbl s HIS 771 Ca 0.02 -1.53 0.04 0.00 0.25 0.00 0.00 55.06 53.83 3hbl s HIS 771 Cb -0.14 -1.85 -0.05 0.00 -1.18 0.00 0.00 32.58 29.37 3hbl s HIS 771 CO 0.02 -0.76 -0.05 -0.08 -0.65 0.00 0.00 174.74 173.22 3hbl s THR 772 N 1.25 1.06 0.18 0.89 -1.32 -1.26 -0.92 115.64 115.52 3hbl s THR 772 Ca 0.03 -2.04 0.07 0.00 -1.21 0.00 0.00 61.69 58.54 3hbl s THR 772 Cb -0.13 -2.08 -0.04 0.00 -1.51 0.00 0.00 72.50 68.74 3hbl s THR 772 CO -0.11 -0.55 0.05 -1.00 -2.21 0.00 0.00 174.62 170.80 3hbl s HIS 773 N -3.40 2.94 -0.26 9.09 3.76 -1.24 -4.44 115.29 121.74 3hbl s HIS 773 Ca 0.22 -0.11 0.13 0.00 -0.15 0.00 0.00 55.06 55.15 3hbl s HIS 773 Cb 0.04 -1.40 0.76 0.00 1.11 0.00 0.00 32.58 33.09 3hbl s HIS 773 CO 0.04 0.53 1.73 -3.47 -0.85 0.00 0.00 174.74 172.72 3hbl n ASP 774 N -0.32 5.18 0.28 1.40 4.64 0.13 -4.43 116.55 123.42 3hbl n ASP 774 Ca -0.09 -3.07 0.14 0.00 -1.38 0.00 0.00 54.79 50.40 3hbl n ASP 774 Cb 0.55 -0.69 0.84 0.00 -1.04 0.00 0.00 41.12 40.78 3hbl n ASP 774 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3hbl h THR 775 N 3.24 0.50 0.00 5.18 1.03 -1.14 0.29 112.91 122.01 3hbl h THR 775 Ca 0.10 -0.27 -0.07 0.00 -0.01 0.00 0.00 66.41 66.16 3hbl h THR 775 Cb 2.05 1.17 -0.01 0.00 -1.07 0.00 0.00 68.15 70.30 3hbl h THR 775 CO 0.55 0.06 -0.66 0.77 -0.01 0.00 0.00 175.52 176.23 3hbl h SER 776 N 0.00 0.00 0.00 0.00 4.64 -1.82 -1.37 113.55 115.00 3hbl h SER 776 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hbl h SER 776 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 3hbl h SER 776 CO 0.01 0.28 0.00 0.61 -0.87 0.00 0.00 176.83 176.86 3hbl n GLY 777 N 1.22 0.69 1.14 -0.77 0.00 0.09 -4.13 105.19 103.42 3hbl n GLY 777 Ca -0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 3hbl n GLY 777 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hbl n ASN 778 N 0.00 3.29 -0.17 1.61 5.03 -1.26 -4.69 115.26 119.07 3hbl n ASN 778 Ca 0.00 -2.00 -0.10 0.00 0.87 0.00 0.00 54.58 53.35 3hbl n ASN 778 Cb 0.00 -0.41 -0.06 0.00 -1.02 0.00 0.00 39.78 38.29 3hbl n ASN 778 CO 0.00 0.00 0.00 1.23 -1.83 0.00 0.00 177.26 176.66 3hbl h GLY 779 N 4.66 -0.66 1.00 7.41 0.00 -1.83 -1.68 103.07 111.98 3hbl h GLY 779 Ca 0.00 0.61 0.00 0.00 0.00 0.00 0.00 47.33 47.95 3hbl h GLY 779 CO 0.00 -0.15 0.44 1.41 0.00 0.00 0.00 176.54 178.24 3hbl h LEU 780 N -0.30 0.79 -1.14 3.11 3.38 -1.96 -1.50 115.31 117.70 3hbl h LEU 780 Ca 0.14 -0.04 0.17 0.00 0.09 0.00 0.00 57.88 58.24 3hbl h LEU 780 Cb 0.58 -0.20 -0.09 0.00 0.09 0.00 0.00 40.66 41.04 3hbl h LEU 780 CO -0.64 0.59 0.61 -0.07 0.09 0.00 0.00 178.44 179.02 3hbl h LEU 781 N 0.92 0.74 0.16 1.67 3.38 -1.80 0.14 115.31 120.52 3hbl h LEU 781 Ca 0.25 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.28 3hbl h LEU 781 Cb -0.08 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.60 3hbl h LEU 781 CO -0.05 0.32 -0.08 0.74 0.09 0.00 0.00 178.44 179.46 3hbl h THR 782 N 0.75 0.97 -0.61 0.22 2.02 -0.36 -0.87 112.91 115.03 3hbl h THR 782 Ca 0.52 -0.73 0.12 0.00 0.77 0.00 0.00 66.41 67.09 3hbl h THR 782 Cb 0.82 1.41 -0.09 0.00 -1.74 0.00 0.00 68.15 68.55 3hbl h THR 782 CO -0.29 0.17 0.10 1.88 0.37 0.00 0.00 175.52 177.75 3hbl h TYR 783 N -0.58 0.15 -0.72 3.16 0.99 -1.14 0.14 116.97 118.98 3hbl h TYR 783 Ca -0.02 0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.75 3hbl h TYR 783 Cb 0.44 0.03 -0.04 0.00 1.00 0.00 0.00 36.73 38.16 3hbl h TYR 783 CO 0.04 -0.06 0.46 -0.22 -0.00 0.00 0.00 178.16 178.37 3hbl h LYS 784 N 0.23 0.96 -0.41 4.88 3.11 -0.55 0.34 116.57 125.12 3hbl h LYS 784 Ca 0.32 -0.07 -0.12 0.00 -2.81 0.00 0.00 60.65 57.97 3hbl h LYS 784 Cb 0.50 -0.21 -0.01 0.00 -1.00 0.00 0.00 32.23 31.50 3hbl h LYS 784 CO -0.43 0.65 -0.24 1.96 -2.81 0.00 0.00 179.45 178.58 3hbl h GLN 785 N 0.98 0.84 -0.44 1.90 1.08 -0.71 -1.90 115.11 116.86 3hbl h GLN 785 Ca 0.26 -0.36 -0.04 0.00 -1.45 0.00 0.00 58.65 57.07 3hbl h GLN 785 Cb -0.08 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.30 3hbl h GLN 785 CO -0.05 0.99 0.13 0.00 -0.95 0.00 0.00 178.83 178.95 3hbl h ALA 786 N 1.00 0.57 -0.62 3.87 0.00 0.13 -1.21 119.26 123.00 3hbl h ALA 786 Ca 0.09 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.88 3hbl h ALA 786 Cb 0.78 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 3hbl h ALA 786 CO 0.06 0.23 0.34 0.82 0.00 0.00 0.00 179.25 180.70 3hbl h ILE 787 N 0.56 0.97 -0.94 0.00 2.04 -0.29 -1.16 117.51 118.70 3hbl h ILE 787 Ca 0.14 -0.22 0.01 0.00 1.00 0.00 0.00 64.86 65.79 3hbl h ILE 787 Cb 0.27 0.28 -0.05 0.00 -0.74 0.00 0.00 36.82 36.58 3hbl h ILE 787 CO -0.00 0.12 0.61 0.44 0.00 0.00 0.00 178.15 179.32 3hbl h ASP 788 N 0.64 1.09 0.71 1.72 3.45 -0.93 -1.60 116.42 121.51 3hbl h ASP 788 Ca 0.27 -0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.70 3hbl h ASP 788 Cb 0.16 -0.27 0.00 0.00 -0.56 0.00 0.00 39.33 38.65 3hbl h ASP 788 CO -0.17 0.80 0.00 0.00 -1.57 0.00 0.00 179.24 178.30 3hbl n ALA 789 N -2.39 2.38 0.00 3.45 0.00 -0.49 -4.91 120.51 118.55 3hbl n ALA 789 Ca 0.11 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3hbl n ALA 789 Cb 0.03 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.01 3hbl n ALA 789 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hbl n GLY 790 N 1.26 1.25 3.76 0.00 0.00 -0.60 -4.17 105.19 106.69 3hbl n GLY 790 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 3hbl n GLY 790 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hbl s VAL 791 N -2.00 2.06 -0.12 1.61 0.11 -0.54 -4.95 120.40 116.56 3hbl s VAL 791 Ca 0.00 0.05 -0.18 0.00 -2.93 0.00 0.00 61.98 58.92 3hbl s VAL 791 Cb 0.00 -3.03 -0.26 0.00 -1.53 0.00 0.00 36.38 31.57 3hbl s VAL 791 CO 0.00 0.00 0.52 0.44 -3.33 0.00 0.00 175.10 172.73 3hbl h ASP 792 N 1.93 0.29 -4.01 3.54 3.32 -1.76 -3.45 116.42 116.28 3hbl h ASP 792 Ca -0.51 -0.82 -0.27 0.00 0.02 0.00 0.00 57.03 55.45 3hbl h ASP 792 Cb 1.28 -0.09 -0.27 0.00 0.22 0.00 0.00 39.33 40.47 3hbl h ASP 792 CO 0.59 1.55 -0.74 -0.63 -1.72 0.00 0.00 179.24 178.30 3hbl s ILE 793 N -2.44 0.26 0.13 0.35 1.01 -0.72 -1.95 121.20 117.84 3hbl s ILE 793 Ca -0.21 -0.28 0.06 0.00 0.00 0.00 0.00 60.65 60.21 3hbl s ILE 793 Cb 0.04 -0.25 -0.04 0.00 0.01 0.00 0.00 42.46 42.22 3hbl s ILE 793 CO 0.73 -0.02 -0.14 0.27 0.00 0.00 0.00 174.94 175.78 3hbl s ILE 794 N -0.31 1.35 -0.26 2.92 -4.36 -0.88 0.48 121.20 120.14 3hbl s ILE 794 Ca -0.01 -1.80 -0.13 0.00 -0.26 0.00 0.00 60.65 58.45 3hbl s ILE 794 Cb -0.03 -1.61 -0.04 0.00 1.25 0.00 0.00 42.46 42.03 3hbl s ILE 794 CO -0.00 -0.46 0.28 -1.81 0.24 0.00 0.00 174.94 173.18 3hbl s ASP 795 N -2.60 6.19 0.27 4.36 1.01 -0.65 -0.83 116.67 124.42 3hbl s ASP 795 Ca 0.11 0.20 0.05 0.00 0.71 0.00 0.00 52.55 53.62 3hbl s ASP 795 Cb -0.04 -2.17 -0.06 0.00 1.01 0.00 0.00 42.92 41.67 3hbl s ASP 795 CO 0.03 -0.08 -0.02 0.42 0.21 0.00 0.00 175.17 175.73 3hbl s THR 796 N 1.64 1.40 0.14 -1.27 -4.23 0.65 -4.37 115.64 109.60 3hbl s THR 796 Ca 0.12 -2.08 0.04 0.00 -1.18 0.00 0.00 61.69 58.60 3hbl s THR 796 Cb -0.15 -2.47 -0.04 0.00 1.34 0.00 0.00 72.50 71.17 3hbl s THR 796 CO 0.09 -0.26 -0.10 0.00 -0.54 0.00 0.00 174.62 173.80 3hbl s ALA 797 N -3.17 1.43 0.49 3.99 0.00 -0.91 -0.93 121.76 122.66 3hbl s ALA 797 Ca 0.30 -1.48 -0.23 0.00 0.00 0.00 0.00 51.96 50.55 3hbl s ALA 797 Cb 0.05 0.05 -0.07 0.00 0.00 0.00 0.00 23.12 23.15 3hbl s ALA 797 CO 0.11 -0.10 1.33 0.14 0.00 0.00 0.00 175.76 177.25 3hbl s VAL 798 N -3.29 2.36 0.20 0.00 -7.23 -1.26 -0.54 120.40 110.64 3hbl s VAL 798 Ca 0.16 0.29 -0.16 0.00 -1.81 0.00 0.00 61.98 60.46 3hbl s VAL 798 Cb 0.02 -3.16 0.19 0.00 0.56 0.00 0.00 36.38 34.00 3hbl s VAL 798 CO 0.00 0.01 1.36 0.00 -0.31 0.00 0.00 175.10 176.17 3hbl n ALA 799 N -0.55 -0.14 0.54 1.32 0.00 -1.26 -0.04 120.51 120.38 3hbl n ALA 799 Ca 0.07 0.87 0.07 0.00 0.00 0.00 0.00 53.44 54.46 3hbl n ALA 799 Cb 0.45 -0.37 0.33 0.00 0.00 0.00 0.00 19.45 19.86 3hbl n ALA 799 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3hbl n SER 800 N -5.28 0.00 -0.15 0.00 3.41 -1.26 -1.50 113.62 108.84 3hbl n SER 800 Ca 0.08 0.49 0.09 0.00 -0.26 0.00 0.00 58.87 59.27 3hbl n SER 800 Cb 0.34 -0.49 0.14 0.00 -0.26 0.00 0.00 64.21 63.94 3hbl n SER 800 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3hbl n MET 801 N -1.49 1.27 -4.46 4.33 2.00 0.94 -4.81 117.12 114.90 3hbl n MET 801 Ca 0.04 -2.61 -0.30 0.00 0.00 0.00 0.00 57.70 54.83 3hbl n MET 801 Cb 0.18 -1.48 -0.07 0.00 0.00 0.00 0.00 33.22 31.86 3hbl n MET 801 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 3hbl s SER 802 N -2.86 4.25 0.00 7.83 1.04 -0.56 -4.68 113.70 118.72 3hbl s SER 802 Ca 0.32 -1.44 0.00 0.00 0.48 0.00 0.00 55.95 55.31 3hbl s SER 802 Cb 0.28 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.62 3hbl s SER 802 CO 0.02 -0.81 0.00 0.61 0.98 0.00 0.00 173.24 174.04 3hbl n GLY 803 N -1.33 0.12 7.00 7.32 0.00 -0.22 -4.85 105.19 113.23 3hbl n GLY 803 Ca -0.11 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.03 3hbl n GLY 803 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hbl n LEU 804 N -0.60 0.00 0.00 0.99 4.77 -1.24 -0.17 117.00 120.75 3hbl n LEU 804 Ca 0.00 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.04 3hbl n LEU 804 Cb 0.00 0.00 0.36 0.00 -2.33 0.00 0.00 43.42 41.45 3hbl n LEU 804 CO 0.00 0.00 0.57 0.35 -1.33 0.00 0.00 177.39 176.98 3hbl n THR 805 N 0.00 0.00 -2.70 -5.08 -2.24 -1.26 -0.66 114.28 102.34 3hbl n THR 805 Ca 0.00 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.66 3hbl n THR 805 Cb 0.00 -0.79 0.05 0.00 -2.10 0.00 0.00 70.33 67.49 3hbl n THR 805 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3hbl n SER 806 N -0.99 0.93 -4.77 3.42 2.88 0.75 -4.61 113.62 111.24 3hbl n SER 806 Ca 0.09 -1.72 -0.33 0.00 -1.33 0.00 0.00 58.87 55.58 3hbl n SER 806 Cb 0.04 -0.30 0.05 0.00 -0.75 0.00 0.00 64.21 63.25 3hbl n SER 806 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 3hbl s GLN 807 N -3.70 2.71 0.48 -1.46 1.11 -1.26 -0.69 119.66 116.85 3hbl s GLN 807 Ca 0.35 1.33 -0.23 0.00 0.01 0.00 0.00 55.36 56.83 3hbl s GLN 807 Cb -0.02 -1.94 -0.08 0.00 -1.01 0.00 0.00 33.01 29.95 3hbl s GLN 807 CO 0.23 -1.31 1.09 -2.30 0.01 0.00 0.00 175.29 173.01 3hbl n PRO 808 N -2.63 1.40 -1.94 2.91 -0.02 -1.26 -1.06 135.00 132.39 3hbl n PRO 808 Ca 0.10 0.51 -0.42 0.00 -2.02 0.00 0.00 63.50 61.67 3hbl n PRO 808 Cb 0.52 -2.20 -0.03 0.00 -0.02 0.00 0.00 33.50 31.77 3hbl n PRO 808 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3hbl s SER 809 N -0.84 6.60 0.10 2.55 0.15 -1.26 -2.14 113.70 118.86 3hbl s SER 809 Ca 0.67 2.60 -0.14 0.00 0.70 0.00 0.00 55.95 59.77 3hbl s SER 809 Cb -0.49 -2.59 -0.11 0.00 -1.71 0.00 0.00 66.02 61.12 3hbl s SER 809 CO 0.54 -0.82 1.37 0.00 1.20 0.00 0.00 173.24 175.53 3hbl h ALA 810 N 6.92 0.39 -0.75 5.45 0.00 -1.14 -2.54 119.26 127.60 3hbl h ALA 810 Ca -0.43 -0.48 0.12 0.00 0.00 0.00 0.00 54.91 54.12 3hbl h ALA 810 Cb 1.20 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.84 3hbl h ALA 810 CO 0.91 0.55 0.35 -0.91 0.00 0.00 0.00 179.25 180.15 3hbl h ASN 811 N 0.50 0.40 0.57 0.00 2.35 -1.93 -0.74 115.58 116.72 3hbl h ASN 811 Ca 0.01 0.09 -0.28 0.00 -0.55 0.00 0.00 56.30 55.57 3hbl h ASN 811 Cb 1.07 0.03 -0.04 0.00 0.05 0.00 0.00 38.32 39.44 3hbl h ASN 811 CO 0.11 0.19 -1.55 0.77 -1.65 0.00 0.00 177.43 175.29 3hbl h SER 812 N 0.54 0.08 -0.63 5.81 4.64 -1.95 -3.23 113.55 118.81 3hbl h SER 812 Ca 0.40 -0.14 0.07 0.00 -0.47 0.00 0.00 61.79 61.64 3hbl h SER 812 Cb 0.53 -0.03 -0.06 0.00 -0.31 0.00 0.00 62.40 62.53 3hbl h SER 812 CO -0.34 1.12 0.32 0.25 -0.87 0.00 0.00 176.83 177.32 3hbl h LEU 813 N 0.01 0.45 -0.45 5.97 5.85 -1.19 0.69 115.31 126.65 3hbl h LEU 813 Ca -0.23 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.58 3hbl h LEU 813 Cb 1.96 -0.04 -0.08 0.00 0.37 0.00 0.00 40.66 42.87 3hbl h LEU 813 CO 0.10 0.29 -0.55 0.22 -0.34 0.00 0.00 178.44 178.16 3hbl h TYR 814 N 0.60 -1.70 -0.02 1.25 3.20 -1.16 -2.16 116.97 116.98 3hbl h TYR 814 Ca 0.29 0.09 -0.15 0.00 3.14 0.00 0.00 58.73 62.10 3hbl h TYR 814 Cb 0.23 0.80 -0.02 0.00 1.54 0.00 0.00 36.73 39.28 3hbl h TYR 814 CO -0.10 -0.47 -0.68 1.88 -1.64 0.00 0.00 178.16 177.15 3hbl h TYR 815 N -0.36 0.13 -0.28 -3.82 -1.99 -1.46 -2.96 116.97 106.23 3hbl h TYR 815 Ca 0.08 -0.06 0.07 0.00 2.00 0.00 0.00 58.73 60.82 3hbl h TYR 815 Cb 0.57 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 39.27 3hbl h TYR 815 CO -0.75 0.74 0.20 0.00 -0.00 0.00 0.00 178.16 178.35 3hbl h ALA 816 N 1.24 2.21 0.00 3.88 0.00 0.86 -2.18 119.26 125.27 3hbl h ALA 816 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3hbl h ALA 816 Cb 1.20 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3hbl h ALA 816 CO 0.10 -0.29 -0.02 1.28 0.00 0.00 0.00 179.25 180.31 3hbl n LEU 817 N -4.46 0.53 -4.63 0.00 4.77 -0.85 -4.90 117.00 107.45 3hbl n LEU 817 Ca 0.03 0.53 -0.54 0.00 -0.03 0.00 0.00 56.01 56.01 3hbl n LEU 817 Cb 0.33 -0.38 -0.06 0.00 -2.33 0.00 0.00 43.42 40.98 3hbl n LEU 817 CO 0.35 -0.11 1.06 0.59 -1.33 0.00 0.00 177.39 177.95 3hbl n ASN 818 N -1.99 1.94 0.00 -1.43 5.03 -0.82 -0.97 115.26 117.02 3hbl n ASN 818 Ca 0.06 1.10 0.00 0.00 0.87 0.00 0.00 54.58 56.61 3hbl n ASN 818 Cb 0.40 -1.18 0.00 0.00 -1.02 0.00 0.00 39.78 37.98 3hbl n ASN 818 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3hbl n GLY 819 N 3.12 1.64 3.94 7.41 0.00 -1.26 -5.03 105.19 115.00 3hbl n GLY 819 Ca 0.21 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.98 3hbl n GLY 819 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hbl s PHE 820 N -3.32 3.50 -2.00 1.61 0.40 -0.14 -5.01 117.98 113.02 3hbl s PHE 820 Ca 0.00 0.39 0.08 0.00 -0.60 0.00 0.00 56.93 56.80 3hbl s PHE 820 Cb 0.00 -1.92 0.49 0.00 0.51 0.00 0.00 43.02 42.10 3hbl s PHE 820 CO 0.00 0.14 0.94 -2.30 0.70 0.00 0.00 175.22 174.70 3hbl n PRO 821 N -1.62 0.50 -3.79 0.24 -0.02 -1.26 -4.71 135.00 124.35 3hbl n PRO 821 Ca -0.04 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.30 3hbl n PRO 821 Cb 0.56 -1.26 -0.14 0.00 -0.02 0.00 0.00 33.50 32.64 3hbl n PRO 821 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3hbl s ARG 822 N -2.00 0.08 -0.10 -0.52 0.52 -1.26 -5.07 118.95 110.59 3hbl s ARG 822 Ca 0.12 0.25 -0.04 0.00 -0.52 0.00 0.00 55.73 55.54 3hbl s ARG 822 Cb 0.06 -0.10 -0.04 0.00 0.52 0.00 0.00 34.95 35.39 3hbl s ARG 822 CO 0.09 -0.11 0.06 -1.58 0.02 0.00 0.00 175.30 173.78 3hbl s HIS 823 N 0.72 3.33 -0.44 -0.53 5.65 -1.26 -4.91 115.29 117.84 3hbl s HIS 823 Ca -0.06 0.31 -0.27 0.00 0.25 0.00 0.00 55.06 55.29 3hbl s HIS 823 Cb -0.08 -1.86 0.03 0.00 -1.18 0.00 0.00 32.58 29.49 3hbl s HIS 823 CO -0.03 0.55 1.03 -1.17 -0.65 0.00 0.00 174.74 174.46 3hbl s LEU 824 N -0.85 3.84 -0.81 8.88 2.96 -1.26 -1.08 118.68 130.37 3hbl s LEU 824 Ca 0.13 0.40 -0.26 0.00 -0.22 0.00 0.00 54.13 54.19 3hbl s LEU 824 Cb -0.12 -3.38 0.02 0.00 0.50 0.00 0.00 46.19 43.21 3hbl s LEU 824 CO 0.03 -1.10 1.52 -0.60 -1.32 0.00 0.00 176.35 174.88 3hbl s ARG 825 N 4.01 3.11 0.29 1.98 3.52 -0.80 -4.88 118.95 126.17 3hbl s ARG 825 Ca 0.42 -0.30 -0.19 0.00 -0.13 0.00 0.00 55.73 55.53 3hbl s ARG 825 Cb -0.09 -4.63 0.07 0.00 -1.56 0.00 0.00 34.95 28.74 3hbl s ARG 825 CO 0.27 -2.42 0.93 -0.08 -0.81 0.00 0.00 175.30 173.18 3hbl s THR 826 N 6.71 0.00 -0.49 4.11 -1.32 -1.26 -4.63 115.64 118.76 3hbl s THR 826 Ca 0.48 -0.78 -0.09 0.00 -1.21 0.00 0.00 61.69 60.09 3hbl s THR 826 Cb -0.07 -2.97 0.12 0.00 -1.51 0.00 0.00 72.50 68.08 3hbl s THR 826 CO 0.08 0.00 0.37 -0.62 -2.21 0.00 0.00 174.62 172.23 3hbl s ASP 827 N -3.28 5.73 0.10 8.08 3.68 -1.26 -4.98 116.67 124.75 3hbl s ASP 827 Ca 0.20 -1.96 -0.23 0.00 2.13 0.00 0.00 52.55 52.68 3hbl s ASP 827 Cb -0.04 -2.02 -0.12 0.00 -1.45 0.00 0.00 42.92 39.30 3hbl s ASP 827 CO 0.08 -0.69 1.72 0.16 0.13 0.00 0.00 175.17 176.58 3hbl h ILE 828 N 6.06 0.90 -0.77 4.11 3.07 -1.96 -1.38 117.51 127.55 3hbl h ILE 828 Ca -0.20 0.00 0.13 0.00 1.55 0.00 0.00 64.86 66.34 3hbl h ILE 828 Cb 1.07 0.90 -0.13 0.00 -0.27 0.00 0.00 36.82 38.38 3hbl h ILE 828 CO 0.86 0.00 -0.35 -0.08 -1.05 0.00 0.00 178.15 177.53 3hbl h GLU 829 N -0.05 -0.09 -0.63 0.16 4.57 -2.00 0.42 114.58 116.96 3hbl h GLU 829 Ca 0.02 0.01 0.09 0.00 -1.18 0.00 0.00 59.36 58.30 3hbl h GLU 829 Cb 0.09 0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 28.63 3hbl h GLU 829 CO -0.06 -0.06 0.28 0.78 -1.18 0.00 0.00 179.01 178.77 3hbl h GLY 830 N -0.09 0.91 1.27 1.92 0.00 -1.89 -2.61 103.07 102.58 3hbl h GLY 830 Ca 0.28 -0.17 -0.06 0.00 0.00 0.00 0.00 47.33 47.39 3hbl h GLY 830 CO -0.81 0.03 0.14 -0.33 0.00 0.00 0.00 176.54 175.57 3hbl h MET 831 N 0.49 0.91 -0.56 4.80 2.86 0.80 0.22 114.93 124.46 3hbl h MET 831 Ca 0.31 -0.19 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 3hbl h MET 831 Cb 0.34 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.84 3hbl h MET 831 CO -0.27 0.81 0.36 0.93 1.06 0.00 0.00 176.91 179.80 3hbl h GLU 832 N 0.87 0.74 -0.15 1.72 4.39 -0.28 0.25 114.58 122.13 3hbl h GLU 832 Ca 0.19 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.82 3hbl h GLU 832 Cb 0.31 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 3hbl h GLU 832 CO -0.00 0.51 0.02 1.03 -1.16 0.00 0.00 179.01 179.40 3hbl h SER 833 N 0.75 0.25 -0.96 1.42 0.87 -0.99 -0.79 113.55 114.09 3hbl h SER 833 Ca 0.20 -0.28 0.08 0.00 -1.23 0.00 0.00 61.79 60.56 3hbl h SER 833 Cb -0.06 -0.07 -0.07 0.00 -0.44 0.00 0.00 62.40 61.76 3hbl h SER 833 CO -0.04 0.46 0.62 -0.07 -0.53 0.00 0.00 176.83 177.27 3hbl h LEU 834 N 0.02 0.95 -0.46 2.23 3.38 -0.34 -1.62 115.31 119.48 3hbl h LEU 834 Ca 0.04 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 3hbl h LEU 834 Cb 0.33 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3hbl h LEU 834 CO 0.00 0.58 0.17 -1.28 0.09 0.00 0.00 178.44 178.01 3hbl h SER 835 N 1.06 0.64 -0.28 -0.43 0.87 0.06 -0.09 113.55 115.37 3hbl h SER 835 Ca 0.43 -0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 3hbl h SER 835 Cb 0.27 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.05 3hbl h SER 835 CO -0.18 0.64 0.18 0.45 -0.53 0.00 0.00 176.83 177.39 3hbl h HIS 836 N 0.60 0.35 -0.41 2.24 3.86 -0.58 -0.89 115.15 120.31 3hbl h HIS 836 Ca 0.15 0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.41 3hbl h HIS 836 Cb 0.21 -0.12 -0.04 0.00 1.06 0.00 0.00 27.41 28.53 3hbl h HIS 836 CO 0.01 0.22 0.19 -0.92 0.86 0.00 0.00 177.93 178.28 3hbl h TYR 837 N 0.37 0.35 0.00 2.45 3.20 -0.99 -2.05 116.97 120.30 3hbl h TYR 837 Ca 0.10 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.98 3hbl h TYR 837 Cb -0.04 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.14 3hbl h TYR 837 CO -0.06 0.17 -0.05 -1.49 -1.64 0.00 0.00 178.16 175.09 3hbl h TRP 838 N 0.39 0.00 -0.11 -3.82 4.06 -0.67 -2.39 115.95 113.41 3hbl h TRP 838 Ca 0.18 0.00 -0.17 0.00 2.06 0.00 0.00 58.89 60.96 3hbl h TRP 838 Cb 0.11 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.28 3hbl h TRP 838 CO -0.11 0.05 -0.61 1.03 -3.56 0.00 0.00 178.44 175.24 3hbl h SER 839 N 0.00 0.73 -0.25 -3.49 0.87 -0.45 -1.25 113.55 109.71 3hbl h SER 839 Ca -0.00 -0.65 -0.07 0.00 -1.23 0.00 0.00 61.79 59.84 3hbl h SER 839 Cb 0.53 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.27 3hbl h SER 839 CO 0.01 1.26 -0.13 0.74 -0.53 0.00 0.00 176.83 178.18 3hbl h THR 840 N 0.26 1.30 -0.52 2.23 2.02 -1.34 -3.18 112.91 113.68 3hbl h THR 840 Ca -0.04 -1.22 -0.04 0.00 0.77 0.00 0.00 66.41 65.88 3hbl h THR 840 Cb 1.25 1.55 -0.02 0.00 -1.74 0.00 0.00 68.15 69.19 3hbl h THR 840 CO 0.13 0.38 0.15 0.58 0.37 0.00 0.00 175.52 177.13 3hbl h VAL 841 N 0.26 1.21 -0.03 3.16 2.07 -1.47 -1.62 116.25 119.84 3hbl h VAL 841 Ca 0.06 -0.72 -0.00 0.00 0.82 0.00 0.00 66.70 66.85 3hbl h VAL 841 Cb 0.64 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 31.06 3hbl h VAL 841 CO 0.04 0.27 0.00 -0.09 0.02 0.00 0.00 177.57 177.81 3hbl h ARG 842 N 0.75 0.04 -0.90 1.57 2.43 -1.21 -0.65 114.38 116.41 3hbl h ARG 842 Ca 0.17 -0.00 0.17 0.00 -0.81 0.00 0.00 59.98 59.51 3hbl h ARG 842 Cb 0.24 -0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 29.71 3hbl h ARG 842 CO -0.01 0.04 0.58 1.15 -1.51 0.00 0.00 179.97 180.22 3hbl h THR 843 N 0.04 0.76 0.00 0.20 2.02 -1.30 0.39 112.91 115.02 3hbl h THR 843 Ca 0.01 -0.20 -0.00 0.00 0.77 0.00 0.00 66.41 66.99 3hbl h THR 843 Cb 0.03 0.14 -0.00 0.00 -1.74 0.00 0.00 68.15 66.57 3hbl h THR 843 CO 0.00 0.10 -0.01 1.88 0.37 0.00 0.00 175.52 177.86 3hbl h TYR 844 N 0.57 0.00 -0.43 3.16 0.99 -1.23 -2.85 116.97 117.19 3hbl h TYR 844 Ca 0.46 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 61.08 3hbl h TYR 844 Cb 0.92 0.00 -0.07 0.00 1.00 0.00 0.00 36.73 38.58 3hbl h TYR 844 CO -0.00 0.01 0.06 0.66 -0.00 0.00 0.00 178.16 178.90 3hbl n TYR 845 N -3.17 1.44 0.07 4.88 4.02 0.13 -4.68 117.16 119.84 3hbl n TYR 845 Ca -0.02 -1.16 0.05 0.00 -0.01 0.00 0.00 57.90 56.77 3hbl n TYR 845 Cb 0.17 -0.47 0.49 0.00 -0.02 0.00 0.00 39.34 39.51 3hbl n TYR 845 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3hbl h SER 846 N 1.86 0.34 0.31 7.72 4.64 -1.55 0.07 113.55 126.94 3hbl h SER 846 Ca 0.14 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 3hbl h SER 846 Cb 1.77 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.78 3hbl h SER 846 CO 0.42 0.24 0.00 0.44 -0.87 0.00 0.00 176.83 177.07 3hbl h ASP 847 N 0.40 0.00 -0.28 4.97 3.32 -1.88 -2.82 116.42 120.14 3hbl h ASP 847 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 3hbl h ASP 847 Cb -0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.53 3hbl h ASP 847 CO -0.02 0.00 0.00 0.49 -1.72 0.00 0.00 179.24 177.99 3hbl n PHE 848 N -2.55 0.67 -1.93 4.55 3.01 0.01 -4.97 117.46 116.25 3hbl n PHE 848 Ca -0.01 -0.71 -0.41 0.00 1.01 0.00 0.00 57.45 57.34 3hbl n PHE 848 Cb 0.12 -0.18 -0.01 0.00 -0.01 0.00 0.00 39.48 39.41 3hbl n PHE 848 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 3hbl s GLU 849 N -1.99 4.21 0.47 -1.08 0.41 -1.07 -3.82 118.70 115.84 3hbl s GLU 849 Ca 0.32 2.43 -0.24 0.00 -0.41 0.00 0.00 54.97 57.07 3hbl s GLU 849 Cb 0.23 -3.01 -0.07 0.00 -1.78 0.00 0.00 34.13 29.50 3hbl s GLU 849 CO 0.11 -0.40 1.31 0.45 -0.49 0.00 0.00 175.26 176.24 3hbl s SER 852 N -0.23 5.89 0.22 -0.19 0.15 -1.07 -4.94 113.70 113.53 3hbl s SER 852 Ca 0.52 2.66 -0.09 0.00 0.70 0.00 0.00 55.95 59.74 3hbl s SER 852 Cb -0.44 -2.63 0.33 0.00 -1.71 0.00 0.00 66.02 61.57 3hbl s SER 852 CO 0.58 -1.14 1.68 -0.78 1.20 0.00 0.00 173.24 174.78 3hbl h ASP 853 N 2.12 -0.11 -2.43 5.45 3.58 -1.94 -3.43 116.42 119.65 3hbl h ASP 853 Ca -0.50 0.14 -0.53 0.00 0.42 0.00 0.00 57.03 56.56 3hbl h ASP 853 Cb 1.27 0.21 0.03 0.00 1.72 0.00 0.00 39.33 42.56 3hbl h ASP 853 CO 0.60 -0.05 1.19 -0.38 -2.88 0.00 0.00 179.24 177.71 3hbl n ILE 854 N -5.20 0.59 -0.54 2.25 -0.00 -1.26 -4.90 119.36 110.30 3hbl n ILE 854 Ca 0.10 -0.11 0.02 0.00 -0.00 0.00 0.00 62.75 62.76 3hbl n ILE 854 Cb 0.37 -2.25 0.03 0.00 -0.00 0.00 0.00 39.64 37.79 3hbl n ILE 854 CO 0.00 0.00 0.00 2.29 -0.00 0.00 0.00 176.55 178.84 3hbl n LYS 855 N 6.70 1.90 -3.69 0.38 -0.00 -1.26 -5.02 118.16 117.18 3hbl n LYS 855 Ca 0.19 -1.51 -0.14 0.00 -0.00 0.00 0.00 58.31 56.84 3hbl n LYS 855 Cb 0.40 -0.98 -0.08 0.00 -0.00 0.00 0.00 35.03 34.36 3hbl n LYS 855 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 3hbl s SER 856 N -1.21 -0.41 0.71 -5.58 0.15 -1.26 -5.12 113.70 100.97 3hbl s SER 856 Ca 0.07 0.54 -0.16 0.00 0.70 0.00 0.00 55.95 57.09 3hbl s SER 856 Cb 0.06 0.59 0.01 0.00 -1.71 0.00 0.00 66.02 64.97 3hbl s SER 856 CO 0.01 -0.39 1.09 -0.81 1.20 0.00 0.00 173.24 174.33 3hbl n PRO 857 N 1.71 0.64 -3.51 5.44 -0.04 -1.26 -5.02 135.00 132.96 3hbl n PRO 857 Ca -0.18 0.28 -0.19 0.00 -0.04 0.00 0.00 63.50 63.36 3hbl n PRO 857 Cb 0.56 -2.33 -0.13 0.00 -0.04 0.00 0.00 33.50 31.56 3hbl n PRO 857 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 3hbl s ASN 858 N -1.62 1.50 0.00 3.54 3.04 -0.52 -5.00 114.94 115.89 3hbl s ASN 858 Ca 0.76 -0.27 0.26 0.00 0.04 0.00 0.00 52.86 53.65 3hbl s ASN 858 Cb -0.35 0.30 0.71 0.00 -1.54 0.00 0.00 41.25 40.37 3hbl s ASN 858 CO 0.47 -0.33 1.54 0.35 -3.04 0.00 0.00 177.10 176.09 3hbl n THR 859 N 5.31 0.00 0.41 -5.21 -2.24 -1.26 -3.48 114.28 107.82 3hbl n THR 859 Ca -0.06 -0.18 0.06 0.00 -2.27 0.00 0.00 64.05 61.60 3hbl n THR 859 Cb 0.49 0.55 0.26 0.00 -2.10 0.00 0.00 70.33 69.53 3hbl n THR 859 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hbl n GLU 860 N -0.36 0.00 -0.29 -0.78 1.02 -1.26 -2.05 120.64 116.93 3hbl n GLU 860 Ca 0.13 0.29 0.11 0.00 -0.02 0.00 0.00 57.16 57.67 3hbl n GLU 860 Cb 0.37 -1.50 0.26 0.00 -0.02 0.00 0.00 31.44 30.55 3hbl n GLU 860 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3hbl h ILE 861 N 0.00 0.43 0.00 -3.67 5.03 -1.96 -2.39 117.51 114.95 3hbl h ILE 861 Ca 0.00 -0.10 0.00 0.00 -0.12 0.00 0.00 64.86 64.64 3hbl h ILE 861 Cb 0.20 0.11 0.00 0.00 -3.03 0.00 0.00 36.82 34.11 3hbl h ILE 861 CO 0.00 0.05 0.00 -1.22 -0.68 0.00 0.00 178.15 176.30 3hbl n TYR 862 N -5.15 0.00 -0.06 1.37 0.53 -0.87 -0.25 117.16 112.73 3hbl n TYR 862 Ca 0.19 0.00 -0.10 0.00 -1.02 0.00 0.00 57.90 56.97 3hbl n TYR 862 Cb 0.60 -0.46 -0.05 0.00 -1.03 0.00 0.00 39.34 38.40 3hbl n TYR 862 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3hbl n GLN 863 N -1.46 0.29 0.03 -0.72 0.00 -0.92 -4.80 117.38 109.80 3hbl n GLN 863 Ca 0.02 0.09 0.05 0.00 0.00 0.00 0.00 57.00 57.15 3hbl n GLN 863 Cb 0.09 -1.14 -0.08 0.00 0.00 0.00 0.00 30.24 29.11 3hbl n GLN 863 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.06 174.67 3hbl n HIS 864 N -3.09 0.69 -1.94 2.61 1.44 -1.10 -4.81 115.22 109.03 3hbl n HIS 864 Ca -0.22 0.22 -0.20 0.00 -2.01 0.00 0.00 57.72 55.50 3hbl n HIS 864 Cb 0.71 -0.93 -0.05 0.00 0.12 0.00 0.00 29.99 29.84 3hbl n HIS 864 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 3hbl n GLU 865 N -2.69 -1.49 -1.70 -1.40 1.02 0.65 -4.66 120.64 110.37 3hbl n GLU 865 Ca -0.08 1.11 -0.42 0.00 -0.02 0.00 0.00 57.16 57.75 3hbl n GLU 865 Cb 0.73 -5.58 -0.03 0.00 -0.02 0.00 0.00 31.44 26.54 3hbl n GLU 865 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 3hbl s MET 866 N -4.28 4.14 0.94 3.49 -1.94 -1.26 -4.87 119.30 115.52 3hbl s MET 866 Ca 0.00 2.60 -0.12 0.00 -1.71 0.00 0.00 55.69 56.46 3hbl s MET 866 Cb 0.00 -3.74 0.15 0.00 2.01 0.00 0.00 34.83 33.25 3hbl s MET 866 CO 0.00 -0.87 1.10 -1.25 -0.01 0.00 0.00 175.02 173.98 3hbl s PRO 867 N 3.18 0.91 0.00 2.03 0.04 -1.26 -4.78 135.00 135.13 3hbl s PRO 867 Ca 0.83 0.62 0.00 0.00 0.04 0.00 0.00 61.00 62.49 3hbl s PRO 867 Cb -0.45 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.30 3hbl s PRO 867 CO 0.38 -2.43 0.00 0.41 0.04 0.00 0.00 177.00 175.40 3hbl n GLY 868 N -1.27 0.46 0.21 0.56 0.00 -0.67 -2.29 105.19 102.20 3hbl n GLY 868 Ca 0.06 0.09 -0.12 0.00 0.00 0.00 0.00 46.02 46.04 3hbl n GLY 868 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3hbl h GLY 869 N 0.00 0.68 -0.79 -0.02 0.00 -1.91 -3.40 103.07 97.62 3hbl h GLY 869 Ca 0.00 -0.88 0.31 0.00 0.00 0.00 0.00 47.33 46.76 3hbl h GLY 869 CO 0.00 0.78 0.34 -0.18 0.00 0.00 0.00 176.54 177.48 3hbl n GLN 870 N -3.93 -0.05 0.00 4.80 7.27 -0.97 -1.35 117.38 123.16 3hbl n GLN 870 Ca -0.05 1.11 0.02 0.00 0.07 0.00 0.00 57.00 58.15 3hbl n GLN 870 Cb 0.67 -1.94 0.09 0.00 2.41 0.00 0.00 30.24 31.47 3hbl n GLN 870 CO 0.00 0.00 0.00 2.48 0.07 0.00 0.00 177.06 179.61 3hbl n TYR 871 N -4.85 0.00 -0.09 3.69 0.18 -1.26 0.27 117.16 115.10 3hbl n TYR 871 Ca 0.28 0.00 -0.20 0.00 1.88 0.00 0.00 57.90 59.86 3hbl n TYR 871 Cb 0.93 -0.20 -0.07 0.00 -0.38 0.00 0.00 39.34 39.62 3hbl n TYR 871 CO 0.00 0.00 0.00 -1.13 -2.08 0.00 0.00 176.86 173.65 3hbl n SER 872 N -1.20 1.37 -0.29 9.48 3.41 -0.46 -4.12 113.62 121.81 3hbl n SER 872 Ca 0.02 0.21 0.12 0.00 -0.26 0.00 0.00 58.87 58.95 3hbl n SER 872 Cb 0.02 -0.53 0.27 0.00 -0.26 0.00 0.00 64.21 63.71 3hbl n SER 872 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 3hbl h ASN 873 N -0.63 -0.00 0.88 4.04 2.35 -1.34 0.17 115.58 121.05 3hbl h ASN 873 Ca -0.47 0.19 -0.13 0.00 -0.55 0.00 0.00 56.30 55.34 3hbl h ASN 873 Cb 1.42 0.26 -0.02 0.00 0.05 0.00 0.00 38.32 40.03 3hbl h ASN 873 CO -0.27 -0.13 -0.63 0.25 -1.65 0.00 0.00 177.43 175.00 3hbl h LEU 874 N 0.22 0.00 -0.29 1.61 5.85 -0.43 0.34 115.31 122.61 3hbl h LEU 874 Ca 0.53 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 59.13 3hbl h LEU 874 Cb 1.04 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.06 3hbl h LEU 874 CO -0.63 0.63 -0.30 -1.28 -0.34 0.00 0.00 178.44 176.51 3hbl h SER 875 N 0.00 0.76 -0.10 1.25 0.87 -1.15 0.38 113.55 115.57 3hbl h SER 875 Ca -0.01 -0.48 0.03 0.00 -1.23 0.00 0.00 61.79 60.11 3hbl h SER 875 Cb 1.23 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 62.95 3hbl h SER 875 CO 0.08 1.08 -0.09 1.56 -0.53 0.00 0.00 176.83 178.93 3hbl h GLN 876 N 0.46 -0.10 -0.49 2.24 4.20 -0.45 0.13 115.11 121.09 3hbl h GLN 876 Ca 0.04 0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.73 3hbl h GLN 876 Cb 0.87 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.65 3hbl h GLN 876 CO 0.07 -0.07 0.18 0.37 -0.67 0.00 0.00 178.83 178.71 3hbl h GLN 877 N -0.11 0.72 0.00 1.46 4.15 -0.81 -1.73 115.11 118.80 3hbl h GLN 877 Ca 0.07 -0.11 -0.12 0.00 0.77 0.00 0.00 58.65 59.26 3hbl h GLN 877 Cb 0.21 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.75 3hbl h GLN 877 CO -0.16 0.61 -0.59 0.00 -1.93 0.00 0.00 178.83 176.76 3hbl h ALA 878 N 1.49 0.91 -0.14 3.38 0.00 0.24 -2.93 119.26 122.22 3hbl h ALA 878 Ca 0.17 -0.54 -0.17 0.00 0.00 0.00 0.00 54.91 54.37 3hbl h ALA 878 Cb 0.17 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3hbl h ALA 878 CO -0.01 0.74 -0.63 0.87 0.00 0.00 0.00 179.25 180.22 3hbl h LYS 879 N 0.00 0.49 -0.70 0.00 1.57 -0.30 0.15 116.57 117.78 3hbl h LYS 879 Ca -0.01 -0.35 0.07 0.00 -1.87 0.00 0.00 60.65 58.50 3hbl h LYS 879 Cb 1.12 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 33.44 3hbl h LYS 879 CO 0.08 0.96 0.46 0.77 -0.57 0.00 0.00 179.45 181.15 3hbl h SER 880 N 0.36 0.61 -0.30 0.86 0.02 -1.15 -1.45 113.55 112.51 3hbl h SER 880 Ca -0.01 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3hbl h SER 880 Cb 1.18 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.60 3hbl h SER 880 CO 0.11 0.39 0.00 0.18 -1.14 0.00 0.00 176.83 176.37 3hbl n LEU 881 N -4.48 2.29 -0.50 5.07 4.77 -1.17 -4.93 117.00 118.05 3hbl n LEU 881 Ca 0.10 -1.02 -0.05 0.00 -0.03 0.00 0.00 56.01 55.01 3hbl n LEU 881 Cb 0.25 -0.19 -0.01 0.00 -2.33 0.00 0.00 43.42 41.14 3hbl n LEU 881 CO 0.34 0.51 -0.06 0.61 -1.33 0.00 0.00 177.39 177.46 3hbl n GLY 882 N 1.24 0.53 1.52 -0.72 0.00 -0.54 -4.93 105.19 102.29 3hbl n GLY 882 Ca 0.17 -0.75 0.08 0.00 0.00 0.00 0.00 46.02 45.51 3hbl n GLY 882 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hbl n LEU 883 N -0.68 4.88 -0.29 0.99 4.77 0.50 -4.65 117.00 122.51 3hbl n LEU 883 Ca -0.06 -2.71 0.14 0.00 -0.03 0.00 0.00 56.01 53.36 3hbl n LEU 883 Cb 0.33 -0.59 0.40 0.00 -2.33 0.00 0.00 43.42 41.22 3hbl n LEU 883 CO 0.08 0.72 1.22 1.23 -1.33 0.00 0.00 177.39 179.30 3hbl h GLY 884 N 3.53 1.29 1.82 -0.72 0.00 -1.80 0.31 103.07 107.51 3hbl h GLY 884 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.04 3hbl h GLY 884 CO 0.32 0.02 0.00 1.18 0.00 0.00 0.00 176.54 178.06 3hbl n GLU 885 N -4.61 0.18 -1.44 4.80 -0.58 -1.26 -3.92 120.64 113.81 3hbl n GLU 885 Ca 0.20 0.00 -0.06 0.00 -0.42 0.00 0.00 57.16 56.88 3hbl n GLU 885 Cb 0.57 -1.50 0.10 0.00 -0.57 0.00 0.00 31.44 30.04 3hbl n GLU 885 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3hbl n ARG 886 N -1.41 2.23 0.20 3.49 1.74 0.11 -4.80 116.66 118.22 3hbl n ARG 886 Ca 0.10 -3.53 0.04 0.00 -0.77 0.00 0.00 57.85 53.69 3hbl n ARG 886 Cb 0.30 -1.71 0.41 0.00 -1.02 0.00 0.00 32.46 30.44 3hbl n ARG 886 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 3hbl h PHE 887 N 1.60 0.00 -0.91 -1.55 3.57 -1.62 -2.63 116.94 115.39 3hbl h PHE 887 Ca 0.11 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.61 3hbl h PHE 887 Cb 1.32 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 40.02 3hbl h PHE 887 CO 0.71 0.32 0.59 0.38 -2.23 0.00 0.00 178.31 178.08 3hbl h ASP 888 N 0.00 1.06 -0.19 0.41 2.03 -1.91 0.13 116.42 117.96 3hbl h ASP 888 Ca -0.00 -0.04 -0.09 0.00 -0.73 0.00 0.00 57.03 56.17 3hbl h ASP 888 Cb 0.57 -0.27 -0.02 0.00 -0.83 0.00 0.00 39.33 38.79 3hbl h ASP 888 CO 0.04 0.78 -0.19 -0.33 -1.03 0.00 0.00 179.24 178.51 3hbl h GLU 889 N 1.24 0.62 -0.23 4.15 5.08 -1.87 0.17 114.58 123.75 3hbl h GLU 889 Ca 0.33 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 3hbl h GLU 889 Cb -0.12 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 3hbl h GLU 889 CO -0.07 0.77 0.06 0.28 -1.00 0.00 0.00 179.01 179.06 3hbl h VAL 890 N 0.55 1.20 -0.41 3.13 2.07 -1.05 0.20 116.25 121.94 3hbl h VAL 890 Ca 0.09 -0.65 -0.05 0.00 0.82 0.00 0.00 66.70 66.91 3hbl h VAL 890 Cb 0.63 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 3hbl h VAL 890 CO 0.04 0.21 0.06 0.11 0.02 0.00 0.00 177.57 178.01 3hbl h LYS 891 N 0.19 0.63 -0.48 1.57 1.57 -0.59 0.16 116.57 119.63 3hbl h LYS 891 Ca 0.07 -0.13 -0.13 0.00 -1.87 0.00 0.00 60.65 58.60 3hbl h LYS 891 Cb 0.26 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 3hbl h LYS 891 CO -0.00 0.61 -0.19 0.22 -0.57 0.00 0.00 179.45 179.52 3hbl h ASP 892 N 0.61 1.00 -0.22 0.86 3.58 -0.38 -3.03 116.42 118.83 3hbl h ASP 892 Ca 0.13 -0.39 -0.18 0.00 0.42 0.00 0.00 57.03 57.02 3hbl h ASP 892 Cb 0.30 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 41.07 3hbl h ASP 892 CO 0.00 1.16 -0.55 -0.03 -2.88 0.00 0.00 179.24 176.95 3hbl h MET 893 N 0.83 0.76 -0.63 0.28 4.05 0.04 -2.58 114.93 117.67 3hbl h MET 893 Ca 0.11 -0.52 0.13 0.00 -0.28 0.00 0.00 59.70 59.14 3hbl h MET 893 Cb 0.77 0.08 -0.11 0.00 -0.80 0.00 0.00 31.60 31.54 3hbl h MET 893 CO 0.06 1.15 -0.00 -0.92 0.23 0.00 0.00 176.91 177.42 3hbl h TYR 894 N 0.49 -0.05 -0.70 1.39 3.20 -0.72 0.42 116.97 121.00 3hbl h TYR 894 Ca -0.01 0.05 -0.04 0.00 3.14 0.00 0.00 58.73 61.87 3hbl h TYR 894 Cb 1.16 0.12 -0.03 0.00 1.54 0.00 0.00 36.73 39.52 3hbl h TYR 894 CO 0.08 -0.17 0.26 -0.09 -1.64 0.00 0.00 178.16 176.60 3hbl h ARG 895 N 0.11 1.05 -0.14 1.82 2.43 -1.39 -2.15 114.38 116.11 3hbl h ARG 895 Ca 0.33 -0.19 -0.10 0.00 -0.81 0.00 0.00 59.98 59.21 3hbl h ARG 895 Cb 0.54 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 3hbl h ARG 895 CO -0.54 0.86 -0.31 0.00 -1.51 0.00 0.00 179.97 178.47 3hbl h ARG 896 N 1.02 0.45 -0.95 0.20 3.08 -0.71 -2.89 114.38 114.59 3hbl h ARG 896 Ca 0.23 -0.30 0.20 0.00 0.07 0.00 0.00 59.98 60.18 3hbl h ARG 896 Cb 0.22 0.04 -0.11 0.00 0.08 0.00 0.00 29.97 30.20 3hbl h ARG 896 CO -0.02 0.91 0.52 0.28 -1.07 0.00 0.00 179.97 180.60 3hbl h VAL 897 N 0.06 0.61 -0.60 2.04 2.07 -0.12 0.51 116.25 120.82 3hbl h VAL 897 Ca 0.00 -0.21 0.05 0.00 0.82 0.00 0.00 66.70 67.37 3hbl h VAL 897 Cb 0.91 -0.04 -0.05 0.00 -1.52 0.00 0.00 31.29 30.59 3hbl h VAL 897 CO 0.07 0.11 0.33 -1.13 0.02 0.00 0.00 177.57 176.96 3hbl h ASN 898 N 0.60 0.48 0.53 0.57 -0.73 -1.18 0.16 115.58 116.01 3hbl h ASN 898 Ca 0.57 0.03 -0.22 0.00 1.87 0.00 0.00 56.30 58.55 3hbl h ASN 898 Cb 0.98 -0.07 -0.01 0.00 0.27 0.00 0.00 38.32 39.50 3hbl h ASN 898 CO -0.44 0.32 -0.96 -0.26 -0.37 0.00 0.00 177.43 175.72 3hbl h PHE 899 N 0.62 0.41 -0.52 0.67 -1.00 -0.96 1.01 116.94 117.17 3hbl h PHE 899 Ca 0.27 -0.24 0.02 0.00 2.81 0.00 0.00 57.97 60.83 3hbl h PHE 899 Cb 0.15 -0.04 -0.03 0.00 3.61 0.00 0.00 35.95 39.65 3hbl h PHE 899 CO -0.09 1.08 0.35 1.25 -1.61 0.00 0.00 178.31 179.29 3hbl h LEU 900 N 0.14 0.55 -1.35 1.54 5.85 0.44 -0.93 115.31 121.54 3hbl h LEU 900 Ca -0.07 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.64 3hbl h LEU 900 Cb 1.61 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.51 3hbl h LEU 900 CO 0.15 0.38 0.00 0.49 -0.34 0.00 0.00 178.44 179.13 3hbl n PHE 901 N -4.47 0.11 0.00 1.25 3.01 -0.00 -4.92 117.46 112.44 3hbl n PHE 901 Ca 0.06 -0.05 0.00 0.00 1.01 0.00 0.00 57.45 58.46 3hbl n PHE 901 Cb 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.58 3hbl n PHE 901 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3hbl n GLY 902 N 1.24 1.07 2.09 1.37 0.00 -0.35 -4.76 105.19 105.85 3hbl n GLY 902 Ca 0.17 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.19 3hbl n GLY 902 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hbl n ASP 903 N 0.00 -4.71 -4.48 1.61 4.64 0.35 -4.75 116.55 109.21 3hbl n ASP 903 Ca 0.00 0.70 -0.26 0.00 -1.38 0.00 0.00 54.79 53.85 3hbl n ASP 903 Cb 0.00 -3.12 -0.11 0.00 -1.04 0.00 0.00 41.12 36.86 3hbl n ASP 903 CO 0.00 0.00 0.00 0.27 -0.82 0.00 0.00 177.20 176.65 3hbl s ILE 904 N -0.77 2.63 0.20 5.18 -4.36 -1.25 -4.83 121.20 118.00 3hbl s ILE 904 Ca -0.01 -1.98 -0.30 0.00 -0.26 0.00 0.00 60.65 58.10 3hbl s ILE 904 Cb 0.00 -2.29 -0.09 0.00 1.25 0.00 0.00 42.46 41.33 3hbl s ILE 904 CO 0.38 -0.16 1.39 -0.69 0.24 0.00 0.00 174.94 176.11 3hbl s VAL 905 N -1.81 2.96 -0.58 8.37 1.01 -1.26 -4.98 120.40 124.10 3hbl s VAL 905 Ca 0.23 0.77 0.03 0.00 0.00 0.00 0.00 61.98 63.01 3hbl s VAL 905 Cb -0.08 -3.49 0.15 0.00 0.00 0.00 0.00 36.38 32.96 3hbl s VAL 905 CO 0.12 0.11 0.35 -0.54 0.00 0.00 0.00 175.10 175.14 3hbl s LYS 906 N 0.07 2.21 0.12 2.72 1.02 -1.26 -4.64 119.74 119.98 3hbl s LYS 906 Ca 0.60 -2.77 0.05 0.00 0.02 0.00 0.00 55.97 53.87 3hbl s LYS 906 Cb -0.39 -3.43 -0.04 0.00 -0.52 0.00 0.00 37.83 33.45 3hbl s LYS 906 CO 0.38 -1.16 -0.11 0.08 -0.92 0.00 0.00 175.35 173.63 3hbl s VAL 907 N -0.51 1.12 0.05 3.17 1.01 -1.26 -4.37 120.40 119.61 3hbl s VAL 907 Ca 0.19 -1.83 -0.38 0.00 0.00 0.00 0.00 61.98 59.96 3hbl s VAL 907 Cb -0.21 -1.60 -0.18 0.00 0.00 0.00 0.00 36.38 34.39 3hbl s VAL 907 CO -0.04 -0.61 1.26 0.00 0.00 0.00 0.00 175.10 175.72 3hbl n ALA 908 N 0.24 -1.84 0.35 5.51 0.00 -1.26 0.26 120.51 123.77 3hbl n ALA 908 Ca -0.13 0.54 0.11 0.00 0.00 0.00 0.00 53.44 53.96 3hbl n ALA 908 Cb 0.59 -1.97 0.25 0.00 0.00 0.00 0.00 19.45 18.31 3hbl n ALA 908 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3hbl n PRO 909 N 2.23 2.42 -0.18 0.00 -0.04 -1.26 -4.76 135.00 133.41 3hbl n PRO 909 Ca 0.19 -2.16 -0.09 0.00 -0.04 0.00 0.00 63.50 61.40 3hbl n PRO 909 Cb 0.15 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.12 3hbl n PRO 909 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3hbl h SER 910 N 4.08 0.80 0.11 3.54 4.64 -0.50 -2.54 113.55 123.68 3hbl h SER 910 Ca 0.00 -0.25 -0.02 0.00 -0.47 0.00 0.00 61.79 61.05 3hbl h SER 910 Cb 0.91 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 62.78 3hbl h SER 910 CO 0.00 0.85 -0.07 0.77 -0.87 0.00 0.00 176.83 177.50 3hbl h SER 911 N 0.72 0.00 -0.43 4.97 4.64 -1.75 -1.71 113.55 119.98 3hbl h SER 911 Ca 0.16 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.42 3hbl h SER 911 Cb 0.38 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.46 3hbl h SER 911 CO 0.01 0.07 0.05 0.50 -0.87 0.00 0.00 176.83 176.60 3hbl h LYS 912 N 0.00 0.73 -0.51 4.77 3.64 -1.75 -2.28 116.57 121.18 3hbl h LYS 912 Ca -0.00 -0.21 0.09 0.00 -1.27 0.00 0.00 60.65 59.27 3hbl h LYS 912 Cb 0.15 -0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 31.81 3hbl h LYS 912 CO 0.01 0.77 0.08 0.28 -2.27 0.00 0.00 179.45 178.32 3hbl h VAL 913 N 0.58 0.68 -0.29 2.00 2.07 -1.04 0.60 116.25 120.86 3hbl h VAL 913 Ca 0.13 -0.07 -0.18 0.00 0.82 0.00 0.00 66.70 67.39 3hbl h VAL 913 Cb 0.41 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 3hbl h VAL 913 CO 0.01 0.04 -0.54 0.58 0.02 0.00 0.00 177.57 177.68 3hbl h VAL 914 N 0.21 1.28 -0.43 2.57 2.07 -1.38 -0.94 116.25 119.62 3hbl h VAL 914 Ca 0.26 -1.73 -0.02 0.00 0.82 0.00 0.00 66.70 66.03 3hbl h VAL 914 Cb 0.37 1.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 3hbl h VAL 914 CO -0.36 0.56 0.18 1.23 0.02 0.00 0.00 177.57 179.20 3hbl h GLY 915 N 0.72 0.69 0.96 2.17 0.00 -1.18 0.11 103.07 106.54 3hbl h GLY 915 Ca 0.02 -0.37 0.01 0.00 0.00 0.00 0.00 47.33 46.99 3hbl h GLY 915 CO 0.12 0.35 0.29 -0.55 0.00 0.00 0.00 176.54 176.75 3hbl h ASP 916 N 0.55 0.49 -0.65 0.19 3.45 -0.78 -0.17 116.42 119.50 3hbl h ASP 916 Ca 0.14 -0.01 -0.08 0.00 0.43 0.00 0.00 57.03 57.52 3hbl h ASP 916 Cb 0.18 -0.12 -0.03 0.00 -0.56 0.00 0.00 39.33 38.81 3hbl h ASP 916 CO -0.01 0.35 0.10 -0.03 -1.57 0.00 0.00 179.24 178.09 3hbl h MET 917 N 0.59 1.09 0.27 3.56 4.05 -0.94 -0.70 114.93 122.86 3hbl h MET 917 Ca 0.17 -0.29 -0.01 0.00 -0.28 0.00 0.00 59.70 59.29 3hbl h MET 917 Cb -0.04 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 30.63 3hbl h MET 917 CO -0.05 1.00 -0.13 0.00 0.23 0.00 0.00 176.91 177.95 3hbl h ALA 918 N 1.08 -0.36 -0.75 0.39 0.00 -0.53 0.08 119.26 119.17 3hbl h ALA 918 Ca 0.20 -0.18 0.16 0.00 0.00 0.00 0.00 54.91 55.09 3hbl h ALA 918 Cb 0.44 0.14 -0.14 0.00 0.00 0.00 0.00 17.79 18.23 3hbl h ALA 918 CO 0.01 -0.53 -0.11 -0.07 0.00 0.00 0.00 179.25 178.55 3hbl h LEU 919 N -0.71 -0.56 -0.94 0.00 4.07 -0.99 -1.46 115.31 114.71 3hbl h LEU 919 Ca -0.04 0.21 -0.03 0.00 0.08 0.00 0.00 57.88 58.11 3hbl h LEU 919 Cb 0.49 0.42 -0.04 0.00 1.08 0.00 0.00 40.66 42.61 3hbl h LEU 919 CO 0.06 -0.23 0.41 0.22 -1.08 0.00 0.00 178.44 177.83 3hbl h TYR 920 N 0.03 1.16 -0.10 1.13 3.20 -0.80 -0.93 116.97 120.66 3hbl h TYR 920 Ca 0.38 -0.04 -0.18 0.00 3.14 0.00 0.00 58.73 62.03 3hbl h TYR 920 Cb 0.62 -0.36 0.01 0.00 1.54 0.00 0.00 36.73 38.54 3hbl h TYR 920 CO -0.53 0.83 -0.64 0.52 -1.64 0.00 0.00 178.16 176.70 3hbl h MET 921 N 1.16 0.61 -0.14 1.82 2.86 0.01 -2.03 114.93 119.23 3hbl h MET 921 Ca 0.28 -0.52 -0.01 0.00 -2.06 0.00 0.00 59.70 57.39 3hbl h MET 921 Cb 0.09 0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 3hbl h MET 921 CO -0.04 1.14 0.03 0.28 1.06 0.00 0.00 176.91 179.38 3hbl h VAL 922 N 0.25 1.21 -0.64 -2.22 2.07 -1.24 0.12 116.25 115.80 3hbl h VAL 922 Ca -0.05 -0.65 0.07 0.00 0.82 0.00 0.00 66.70 66.89 3hbl h VAL 922 Cb 1.28 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 32.39 3hbl h VAL 922 CO 0.13 0.19 0.43 -0.61 0.02 0.00 0.00 177.57 177.73 3hbl h GLN 923 N 0.02 0.58 -0.52 1.57 4.15 -1.21 -2.50 115.11 117.21 3hbl h GLN 923 Ca 0.04 -0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.39 3hbl h GLN 923 Cb 0.27 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.81 3hbl h GLN 923 CO 0.00 0.38 0.04 0.09 -1.93 0.00 0.00 178.83 177.42 3hbl n ASN 924 N -4.48 5.05 -4.10 -0.69 3.02 -0.76 -4.96 115.26 108.34 3hbl n ASN 924 Ca 0.10 -3.03 -0.32 0.00 -0.03 0.00 0.00 54.58 51.29 3hbl n ASN 924 Cb 0.27 -0.66 -0.02 0.00 -0.61 0.00 0.00 39.78 38.76 3hbl n ASN 924 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3hbl n ASP 925 N 0.16 -2.78 -4.62 6.41 8.00 -0.57 -4.93 116.55 118.22 3hbl n ASP 925 Ca 0.29 -0.97 -0.34 0.00 0.71 0.00 0.00 54.79 54.47 3hbl n ASP 925 Cb 1.15 -3.04 -0.11 0.00 -0.02 0.00 0.00 41.12 39.11 3hbl n ASP 925 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3hbl s LEU 926 N -7.19 3.40 0.00 0.64 1.02 0.32 -5.04 118.68 111.83 3hbl s LEU 926 Ca 0.53 0.04 0.00 0.00 0.02 0.00 0.00 54.13 54.72 3hbl s LEU 926 Cb -0.28 -1.78 0.00 0.00 0.02 0.00 0.00 46.19 44.15 3hbl s LEU 926 CO 0.90 0.33 0.00 -0.90 0.02 0.00 0.00 176.35 176.70 3hbl n ASP 927 N 2.48 1.59 0.22 2.29 3.85 -1.26 -4.60 116.55 121.13 3hbl n ASP 927 Ca -0.18 -0.84 0.06 0.00 -0.71 0.00 0.00 54.79 53.12 3hbl n ASP 927 Cb 0.53 0.00 0.50 0.00 -1.35 0.00 0.00 41.12 40.80 3hbl n ASP 927 CO 0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.20 175.86 3hbl h GLU 928 N 0.00 0.00 0.05 0.11 3.07 -2.00 -2.32 114.58 113.49 3hbl h GLU 928 Ca 0.00 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 58.72 3hbl h GLU 928 Cb 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3hbl h GLU 928 CO 0.00 0.25 -0.72 1.96 -1.40 0.00 0.00 179.01 179.10 3hbl h GLN 929 N 0.00 0.11 0.00 2.33 7.50 -2.01 -3.37 115.11 119.68 3hbl h GLN 929 Ca -0.00 -0.19 -0.06 0.00 0.50 0.00 0.00 58.65 58.90 3hbl h GLN 929 Cb 0.49 0.07 -0.01 0.00 0.05 0.00 0.00 27.48 28.08 3hbl h GLN 929 CO 0.03 1.09 -0.27 0.66 -1.50 0.00 0.00 178.83 178.84 3hbl h SER 930 N -0.73 0.00 0.34 1.46 4.64 -1.96 -1.43 113.55 115.88 3hbl h SER 930 Ca -0.17 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.12 3hbl h SER 930 Cb 1.35 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.44 3hbl h SER 930 CO -0.00 0.27 -0.17 1.62 -0.87 0.00 0.00 176.83 177.68 3hbl h VAL 931 N 0.00 0.79 0.08 0.95 3.04 -1.58 0.17 116.25 119.71 3hbl h VAL 931 Ca -0.00 -0.67 -0.35 0.00 -1.01 0.00 0.00 66.70 64.67 3hbl h VAL 931 Cb 0.63 1.40 -0.03 0.00 -2.01 0.00 0.00 31.29 31.28 3hbl h VAL 931 CO 0.04 0.17 -1.94 -0.38 -1.01 0.00 0.00 177.57 174.45 3hbl n ILE 932 N -3.85 1.70 0.16 3.17 5.41 -0.98 -3.07 119.36 121.91 3hbl n ILE 932 Ca -0.02 -0.52 -0.14 0.00 1.00 0.00 0.00 62.75 63.07 3hbl n ILE 932 Cb 0.27 -1.76 -0.08 0.00 -0.71 0.00 0.00 39.64 37.35 3hbl n ILE 932 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 3hbl h THR 933 N -0.17 0.76 -0.00 1.39 2.02 -1.00 -3.21 112.91 112.69 3hbl h THR 933 Ca -0.44 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.49 3hbl h THR 933 Cb 1.87 0.90 0.00 0.00 -1.74 0.00 0.00 68.15 69.18 3hbl h THR 933 CO -0.00 0.06 -0.39 0.47 0.37 0.00 0.00 175.52 176.02 3hbl n ASP 934 N -5.20 0.50 0.03 4.18 10.43 0.59 -4.51 116.55 122.57 3hbl n ASP 934 Ca -0.10 -0.25 0.19 0.00 2.57 0.00 0.00 54.79 57.21 3hbl n ASP 934 Cb 0.21 0.12 0.48 0.00 1.84 0.00 0.00 41.12 43.77 3hbl n ASP 934 CO 0.00 0.00 0.00 1.23 -1.07 0.00 0.00 177.20 177.36 3hbl h GLY 935 N 4.99 0.00 2.00 0.44 0.00 -1.54 0.10 103.07 109.06 3hbl h GLY 935 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 3hbl h GLY 935 CO 0.00 0.00 -0.26 0.10 0.00 0.00 0.00 176.54 176.38 3hbl h TYR 936 N 0.00 0.00 -0.26 5.60 -0.00 -1.81 -3.09 116.97 117.41 3hbl h TYR 936 Ca 0.27 0.00 -0.10 0.00 0.00 0.00 0.00 58.73 58.90 3hbl h TYR 936 Cb 2.03 0.00 -0.06 0.00 0.00 0.00 0.00 36.73 38.71 3hbl h TYR 936 CO 0.00 0.26 -0.08 0.36 -0.00 0.00 0.00 178.16 178.70 3hbl n LYS 937 N -3.58 2.05 -5.16 0.10 2.85 0.35 -4.99 118.16 109.77 3hbl n LYS 937 Ca -0.01 -3.03 -0.32 0.00 -1.05 0.00 0.00 58.31 53.90 3hbl n LYS 937 Cb 0.40 -1.77 -0.16 0.00 -0.65 0.00 0.00 35.03 32.85 3hbl n LYS 937 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 3hbl s LEU 938 N -3.09 2.21 -0.79 -5.58 1.43 -1.17 -5.07 118.68 106.62 3hbl s LEU 938 Ca 0.42 -0.48 -0.17 0.00 -1.03 0.00 0.00 54.13 52.87 3hbl s LEU 938 Cb 0.37 -1.43 0.16 0.00 0.03 0.00 0.00 46.19 45.32 3hbl s LEU 938 CO 0.02 0.21 0.85 -1.81 0.23 0.00 0.00 176.35 175.85 3hbl s ASP 939 N 0.05 6.56 0.42 2.29 1.11 -1.26 -4.98 116.67 120.87 3hbl s ASP 939 Ca -0.09 -2.16 -0.24 0.00 0.18 0.00 0.00 52.55 50.23 3hbl s ASP 939 Cb -0.15 -2.29 -0.08 0.00 1.07 0.00 0.00 42.92 41.47 3hbl s ASP 939 CO 0.06 -0.86 1.17 -0.36 1.18 0.00 0.00 175.17 176.36 3hbl s PHE 940 N 1.58 2.98 0.26 4.23 0.40 -1.26 -4.95 117.98 121.23 3hbl s PHE 940 Ca 0.20 1.54 -0.30 0.00 -0.60 0.00 0.00 56.93 57.78 3hbl s PHE 940 Cb -0.13 -3.40 -0.14 0.00 0.51 0.00 0.00 43.02 39.86 3hbl s PHE 940 CO -0.05 -1.42 1.13 -2.30 0.70 0.00 0.00 175.22 173.28 3hbl n PRO 941 N -0.14 1.48 -0.37 0.24 -0.02 -1.26 -4.76 135.00 130.18 3hbl n PRO 941 Ca 0.05 0.52 0.37 0.00 -2.02 0.00 0.00 63.50 62.43 3hbl n PRO 941 Cb 0.47 -1.98 0.76 0.00 -0.02 0.00 0.00 33.50 32.72 3hbl n PRO 941 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3hbl h GLU 942 N 2.68 0.01 -0.09 -0.52 4.39 -2.00 -0.84 114.58 118.21 3hbl h GLU 942 Ca -0.42 -0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.09 3hbl h GLU 942 Cb 1.33 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.97 3hbl h GLU 942 CO 0.65 0.00 -0.73 0.66 -1.16 0.00 0.00 179.01 178.44 3hbl h SER 943 N 0.01 0.55 -0.03 1.42 4.64 -1.96 -1.43 113.55 116.75 3hbl h SER 943 Ca 0.61 -0.36 -0.10 0.00 -0.47 0.00 0.00 61.79 61.47 3hbl h SER 943 Cb 2.43 -0.16 0.01 0.00 -0.31 0.00 0.00 62.40 64.36 3hbl h SER 943 CO -0.01 1.10 -0.36 1.62 -0.87 0.00 0.00 176.83 178.31 3hbl h VAL 944 N 0.32 1.47 -0.74 0.95 3.04 -1.45 -1.06 116.25 118.78 3hbl h VAL 944 Ca -0.03 -1.89 0.03 0.00 -1.01 0.00 0.00 66.70 63.81 3hbl h VAL 944 Cb 1.31 2.55 -0.05 0.00 -2.01 0.00 0.00 31.29 33.09 3hbl h VAL 944 CO 0.13 0.53 0.46 1.62 -1.01 0.00 0.00 177.57 179.30 3hbl h VAL 945 N -0.27 1.09 -0.30 1.51 3.04 -1.55 0.34 116.25 120.10 3hbl h VAL 945 Ca -0.04 -0.31 0.05 0.00 -1.01 0.00 0.00 66.70 65.39 3hbl h VAL 945 Cb 1.06 0.12 -0.04 0.00 -2.01 0.00 0.00 31.29 30.42 3hbl h VAL 945 CO 0.07 0.16 0.04 -1.28 -1.01 0.00 0.00 177.57 175.56 3hbl h SER 946 N 0.89 -0.02 -0.70 3.17 0.87 -1.29 0.19 113.55 116.65 3hbl h SER 946 Ca 0.30 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.91 3hbl h SER 946 Cb 0.04 0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.05 3hbl h SER 946 CO -0.12 0.02 0.44 0.15 -0.53 0.00 0.00 176.83 176.79 3hbl h PHE 947 N 0.15 0.91 -0.01 2.24 3.04 0.10 -1.77 116.94 121.60 3hbl h PHE 947 Ca 0.14 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.10 3hbl h PHE 947 Cb 0.16 -0.30 0.00 0.00 2.56 0.00 0.00 35.95 38.37 3hbl h PHE 947 CO -0.19 0.59 -0.01 1.19 -2.02 0.00 0.00 178.31 177.88 3hbl n PHE 948 N -4.41 0.00 0.88 0.41 3.01 0.11 -3.11 117.46 114.34 3hbl n PHE 948 Ca 0.07 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.64 3hbl n PHE 948 Cb 0.06 -0.01 0.05 0.00 -0.01 0.00 0.00 39.48 39.56 3hbl n PHE 948 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 3hbl n LYS 949 N -0.47 0.08 -0.08 -1.08 4.81 -0.01 -4.83 118.16 116.58 3hbl n LYS 949 Ca 0.21 -0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.65 3hbl n LYS 949 Cb 0.23 -1.52 0.00 0.00 0.02 0.00 0.00 35.03 33.76 3hbl n LYS 949 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3hbl n GLY 950 N 1.46 1.13 0.03 3.14 0.00 -1.18 0.80 105.19 110.58 3hbl n GLY 950 Ca 0.04 -0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.10 3hbl n GLY 950 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hbl n GLU 951 N -1.87 0.22 0.00 1.61 1.02 -1.10 -2.86 120.64 117.67 3hbl n GLU 951 Ca 0.00 0.01 0.09 0.00 -0.02 0.00 0.00 57.16 57.25 3hbl n GLU 951 Cb 0.01 -1.59 -0.05 0.00 -0.02 0.00 0.00 31.44 29.78 3hbl n GLU 951 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3hbl n ILE 952 N -1.88 0.00 0.00 -3.67 5.41 -1.26 -4.85 119.36 113.11 3hbl n ILE 952 Ca 0.03 -0.17 0.00 0.00 1.00 0.00 0.00 62.75 63.61 3hbl n ILE 952 Cb 0.41 1.12 0.00 0.00 -0.71 0.00 0.00 39.64 40.46 3hbl n ILE 952 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3hbl n GLY 953 N 1.39 -0.80 3.65 7.39 0.00 -1.13 -4.80 105.19 110.88 3hbl n GLY 953 Ca 0.06 -2.16 -0.38 0.00 0.00 0.00 0.00 46.02 43.54 3hbl n GLY 953 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hbl s GLN 954 N 0.00 4.09 0.49 1.61 -1.52 -1.26 -4.69 119.66 118.38 3hbl s GLN 954 Ca 0.00 -0.03 -0.20 0.00 -1.95 0.00 0.00 55.36 53.18 3hbl s GLN 954 Cb 0.00 -3.57 -0.08 0.00 -0.22 0.00 0.00 33.01 29.14 3hbl s GLN 954 CO 0.00 -0.05 1.06 -1.25 -0.25 0.00 0.00 175.29 174.80 3hbl s PRO 955 N 1.38 3.73 0.25 2.91 0.04 -1.26 -4.66 135.00 137.38 3hbl s PRO 955 Ca 0.13 1.42 -0.09 0.00 0.04 0.00 0.00 61.00 62.51 3hbl s PRO 955 Cb -0.15 -2.10 0.39 0.00 0.04 0.00 0.00 34.50 32.69 3hbl s PRO 955 CO 0.07 -0.50 1.61 0.28 0.04 0.00 0.00 177.00 178.50 3hbl h VAL 956 N 1.52 0.24 -0.01 -0.36 2.07 -1.90 -1.03 116.25 116.79 3hbl h VAL 956 Ca -0.50 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.01 3hbl h VAL 956 Cb 1.23 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 3hbl h VAL 956 CO 0.59 0.01 -0.10 0.59 0.02 0.00 0.00 177.57 178.67 3hbl n ASN 957 N -5.46 0.92 0.00 0.57 5.03 -1.26 -5.05 115.26 110.01 3hbl n ASN 957 Ca 0.13 -1.01 0.00 0.00 0.87 0.00 0.00 54.58 54.56 3hbl n ASN 957 Cb 0.45 0.02 0.00 0.00 -1.02 0.00 0.00 39.78 39.23 3hbl n ASN 957 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3hbl n GLY 958 N 1.23 -2.07 3.78 7.41 0.00 -0.39 -4.91 105.19 110.25 3hbl n GLY 958 Ca 0.16 -1.57 -0.36 0.00 0.00 0.00 0.00 46.02 44.26 3hbl n GLY 958 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hbl s PHE 959 N -0.07 3.39 0.07 1.61 0.40 -1.26 -4.78 117.98 117.34 3hbl s PHE 959 Ca 0.00 0.36 -0.31 0.00 -0.60 0.00 0.00 56.93 56.38 3hbl s PHE 959 Cb 0.00 -1.89 -0.08 0.00 0.51 0.00 0.00 43.02 41.56 3hbl s PHE 959 CO 0.00 0.58 1.66 1.21 0.70 0.00 0.00 175.22 179.38 3hbl s ASN 960 N -0.86 6.60 0.19 1.36 3.84 -1.26 -4.92 114.94 119.89 3hbl s ASN 960 Ca 0.13 2.49 -0.11 0.00 0.21 0.00 0.00 52.86 55.58 3hbl s ASN 960 Cb -0.12 -2.56 0.11 0.00 -0.55 0.00 0.00 41.25 38.13 3hbl s ASN 960 CO 0.03 -0.89 1.78 0.11 -2.79 0.00 0.00 177.10 175.34 3hbl h LYS 961 N 8.40 0.97 -0.08 0.43 1.57 -1.99 0.07 116.57 125.94 3hbl h LYS 961 Ca -0.43 -0.14 -0.21 0.00 -1.87 0.00 0.00 60.65 58.01 3hbl h LYS 961 Cb 1.20 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.34 3hbl h LYS 961 CO 0.93 0.76 -0.81 -0.44 -0.57 0.00 0.00 179.45 179.33 3hbl h ASP 962 N 0.93 0.64 -0.37 0.86 3.32 -1.99 -1.68 116.42 118.12 3hbl h ASP 962 Ca 0.23 -0.44 -0.10 0.00 0.02 0.00 0.00 57.03 56.74 3hbl h ASP 962 Cb 0.11 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 3hbl h ASP 962 CO -0.03 1.21 -0.14 0.25 -1.72 0.00 0.00 179.24 178.81 3hbl h LEU 963 N 0.34 0.77 -0.39 1.55 5.85 -1.94 -2.11 115.31 119.39 3hbl h LEU 963 Ca -0.05 -0.39 0.06 0.00 0.84 0.00 0.00 57.88 58.34 3hbl h LEU 963 Cb 1.41 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 42.18 3hbl h LEU 963 CO 0.15 0.99 0.07 -0.61 -0.34 0.00 0.00 178.44 178.69 3hbl h GLN 964 N 0.56 0.19 0.19 1.25 4.15 -0.99 -2.75 115.11 117.70 3hbl h GLN 964 Ca 0.09 -0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.50 3hbl h GLN 964 Cb 0.68 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.30 3hbl h GLN 964 CO 0.05 0.12 -0.23 0.00 -1.93 0.00 0.00 178.83 176.85 3hbl h ALA 965 N 1.30 -0.44 0.00 3.38 0.00 -1.10 -1.04 119.26 121.36 3hbl h ALA 965 Ca 0.19 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3hbl h ALA 965 Cb 0.23 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 3hbl h ALA 965 CO -0.25 -0.78 -0.08 0.28 0.00 0.00 0.00 179.25 178.42 3hbl h VAL 966 N -0.46 0.77 0.07 0.00 2.07 -1.23 -1.88 116.25 115.60 3hbl h VAL 966 Ca 0.01 -0.30 -0.32 0.00 0.82 0.00 0.00 66.70 66.91 3hbl h VAL 966 Cb 0.45 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.37 3hbl h VAL 966 CO -0.08 0.08 -1.73 0.40 0.02 0.00 0.00 177.57 176.26 3hbl h ILE 967 N 0.00 0.89 0.00 4.57 2.04 -1.22 -3.36 117.51 120.42 3hbl h ILE 967 Ca -0.00 -2.64 0.00 0.00 1.00 0.00 0.00 64.86 63.22 3hbl h ILE 967 Cb 0.17 2.55 0.00 0.00 -0.74 0.00 0.00 36.82 38.80 3hbl h ILE 967 CO 0.01 0.72 -0.12 -0.07 0.00 0.00 0.00 178.15 178.69 3hbl h LEU 968 N 0.04 0.00 -1.66 1.44 3.38 -0.43 -3.46 115.31 114.62 3hbl h LEU 968 Ca -0.31 -0.02 -0.62 0.00 0.09 0.00 0.00 57.88 57.02 3hbl h LEU 968 Cb 2.01 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 42.47 3hbl h LEU 968 CO 0.11 0.01 -0.94 0.29 0.09 0.00 0.00 178.44 178.00 3hbl n LYS 969 N -2.63 -0.83 -0.39 1.13 4.76 -0.83 -1.36 118.16 118.01 3hbl n LYS 969 Ca 0.04 0.11 0.00 0.00 -2.87 0.00 0.00 58.31 55.60 3hbl n LYS 969 Cb 0.48 -4.11 0.00 0.00 -1.84 0.00 0.00 35.03 29.56 3hbl n LYS 969 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hbl n GLY 970 N -1.84 0.77 3.77 0.72 0.00 -1.26 -5.05 105.19 102.29 3hbl n GLY 970 Ca -0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 3hbl n GLY 970 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hbl s GLN 971 N -0.57 4.36 0.55 1.61 -0.21 -0.46 -5.01 119.66 119.92 3hbl s GLN 971 Ca 0.00 1.71 -0.20 0.00 0.02 0.00 0.00 55.36 56.89 3hbl s GLN 971 Cb 0.00 -2.86 -0.05 0.00 1.00 0.00 0.00 33.01 31.09 3hbl s GLN 971 CO 0.00 -0.01 1.17 -1.21 -2.12 0.00 0.00 175.29 173.11 3hbl s GLU 972 N -1.98 3.27 0.21 2.91 2.02 -1.26 -4.93 118.70 118.94 3hbl s GLU 972 Ca 0.51 1.73 0.06 0.00 0.02 0.00 0.00 54.97 57.29 3hbl s GLU 972 Cb -0.28 -2.04 -0.04 0.00 0.10 0.00 0.00 34.13 31.87 3hbl s GLU 972 CO 0.36 -0.94 0.21 0.00 0.02 0.00 0.00 175.26 174.90 3hbl s ALA 973 N -1.66 3.66 0.56 5.21 0.00 -1.26 -4.90 121.76 123.37 3hbl s ALA 973 Ca 0.73 -1.29 -0.20 0.00 0.00 0.00 0.00 51.96 51.20 3hbl s ALA 973 Cb -0.27 -1.42 -0.05 0.00 0.00 0.00 0.00 23.12 21.38 3hbl s ALA 973 CO 0.31 0.36 1.21 -0.51 0.00 0.00 0.00 175.76 177.13 3hbl s LEU 974 N -3.56 3.75 -0.09 0.00 1.43 0.24 -4.94 118.68 115.50 3hbl s LEU 974 Ca 0.33 2.41 0.14 0.00 -1.03 0.00 0.00 54.13 55.97 3hbl s LEU 974 Cb -0.09 -4.50 0.43 0.00 0.03 0.00 0.00 46.19 42.06 3hbl s LEU 974 CO 0.25 -1.46 1.35 0.35 0.23 0.00 0.00 176.35 177.08 3hbl n THR 975 N -1.33 1.66 -3.75 5.49 -2.24 -1.26 -4.83 114.28 108.03 3hbl n THR 975 Ca 0.12 -1.43 -0.02 0.00 -2.27 0.00 0.00 64.05 60.45 3hbl n THR 975 Cb 0.49 0.12 -0.01 0.00 -2.10 0.00 0.00 70.33 68.83 3hbl n THR 975 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hbl s ALA 976 N -1.92 -1.76 0.39 6.98 0.00 -1.26 -5.15 121.76 119.04 3hbl s ALA 976 Ca 0.34 0.16 -0.27 0.00 0.00 0.00 0.00 51.96 52.18 3hbl s ALA 976 Cb 0.24 0.61 -0.10 0.00 0.00 0.00 0.00 23.12 23.86 3hbl s ALA 976 CO 0.13 -1.05 1.48 2.89 0.00 0.00 0.00 175.76 179.20 3hbl n ARG 977 N -0.51 2.59 -0.39 0.00 1.85 -1.26 -4.86 116.66 114.07 3hbl n ARG 977 Ca -0.06 0.91 0.33 0.00 -1.00 0.00 0.00 57.85 58.03 3hbl n ARG 977 Cb 0.61 -2.66 0.60 0.00 -1.05 0.00 0.00 32.46 29.95 3hbl n ARG 977 CO 0.00 0.00 0.00 -1.35 -0.01 0.00 0.00 177.63 176.27 3hbl h PRO 978 N 2.80 0.12 -0.33 2.89 0.11 -1.89 -2.63 132.00 133.07 3hbl h PRO 978 Ca -0.51 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 65.67 3hbl h PRO 978 Cb 1.25 -0.03 -0.08 0.00 0.11 0.00 0.00 31.00 32.25 3hbl h PRO 978 CO 0.63 0.08 -0.30 0.78 -0.21 0.00 0.00 178.00 178.99 3hbl h GLY 979 N 0.13 -0.23 1.73 -0.55 0.00 -1.89 -3.02 103.07 99.23 3hbl h GLY 979 Ca 0.80 0.38 0.00 0.00 0.00 0.00 0.00 47.33 48.51 3hbl h GLY 979 CO -0.53 -0.21 0.00 -1.84 0.00 0.00 0.00 176.54 173.96 3hbl n GLU 980 N -5.41 0.03 0.06 4.80 -0.00 -0.99 -2.36 120.64 116.78 3hbl n GLU 980 Ca 0.00 0.32 -0.00 0.00 -0.00 0.00 0.00 57.16 57.48 3hbl n GLU 980 Cb 0.32 -1.50 -0.06 0.00 -0.00 0.00 0.00 31.44 30.21 3hbl n GLU 980 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.13 179.01 3hbl h TYR 981 N 0.00 0.00 -3.04 -1.84 -1.99 -1.72 -3.48 116.97 104.90 3hbl h TYR 981 Ca 0.00 0.00 -0.60 0.00 2.00 0.00 0.00 58.73 60.13 3hbl h TYR 981 Cb 0.04 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 38.73 3hbl h TYR 981 CO 0.00 0.61 -0.35 -0.51 -0.00 0.00 0.00 178.16 177.92 3hbl s LEU 982 N -6.06 4.33 0.41 3.88 1.43 -0.99 -5.08 118.68 116.59 3hbl s LEU 982 Ca -0.01 0.58 -0.25 0.00 -1.03 0.00 0.00 54.13 53.42 3hbl s LEU 982 Cb 0.08 -2.99 -0.08 0.00 0.03 0.00 0.00 46.19 43.23 3hbl s LEU 982 CO 0.79 0.16 1.21 -1.61 0.23 0.00 0.00 176.35 177.13 3hbl s GLU 983 N -2.19 4.00 0.37 1.70 0.41 -1.26 -4.80 118.70 116.93 3hbl s GLU 983 Ca 0.34 1.92 -0.27 0.00 -0.41 0.00 0.00 54.97 56.56 3hbl s GLU 983 Cb -0.13 -2.67 -0.11 0.00 -1.78 0.00 0.00 34.13 29.43 3hbl s GLU 983 CO 0.21 -0.39 1.21 -2.30 -0.49 0.00 0.00 175.26 173.50 3hbl n PRO 984 N 0.03 1.87 -2.45 0.39 -0.02 -1.26 -4.63 135.00 128.93 3hbl n PRO 984 Ca 0.04 0.66 -0.42 0.00 -2.02 0.00 0.00 63.50 61.77 3hbl n PRO 984 Cb 0.46 -2.26 -0.03 0.00 -0.02 0.00 0.00 33.50 31.65 3hbl n PRO 984 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3hbl s VAL 985 N -1.15 4.04 -0.71 -1.45 1.01 -1.26 -4.98 120.40 115.89 3hbl s VAL 985 Ca 0.59 1.52 -0.27 0.00 0.00 0.00 0.00 61.98 63.82 3hbl s VAL 985 Cb -0.56 -3.97 0.03 0.00 0.00 0.00 0.00 36.38 31.88 3hbl s VAL 985 CO 0.60 0.15 1.25 -0.62 0.00 0.00 0.00 175.10 176.48 3hbl s ASP 986 N 0.81 6.21 0.31 3.32 -1.08 -1.26 -4.87 116.67 120.11 3hbl s ASP 986 Ca 0.56 -0.38 0.15 0.00 -0.52 0.00 0.00 52.55 52.37 3hbl s ASP 986 Cb -0.29 -2.55 0.42 0.00 -1.46 0.00 0.00 42.92 39.03 3hbl s ASP 986 CO 0.30 -1.77 1.61 -0.26 0.52 0.00 0.00 175.17 175.58 3hbl h PHE 987 N 9.93 0.00 -0.44 -5.34 -1.00 -1.99 -2.67 116.94 115.43 3hbl h PHE 987 Ca -0.28 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.48 3hbl h PHE 987 Cb 1.05 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.59 3hbl h PHE 987 CO 1.11 0.51 0.17 0.93 -1.61 0.00 0.00 178.31 179.42 3hbl h GLU 988 N 0.00 0.65 -1.01 1.51 4.39 -1.99 -0.40 114.58 117.74 3hbl h GLU 988 Ca -0.01 -0.12 0.06 0.00 0.34 0.00 0.00 59.36 59.63 3hbl h GLU 988 Cb 1.11 -0.11 -0.06 0.00 -0.10 0.00 0.00 28.75 29.59 3hbl h GLU 988 CO 0.07 0.60 0.65 0.87 -1.16 0.00 0.00 179.01 180.04 3hbl h LYS 989 N 0.56 1.18 -0.06 2.33 1.79 -1.94 0.12 116.57 120.55 3hbl h LYS 989 Ca 0.15 -0.07 -0.00 0.00 -2.18 0.00 0.00 60.65 58.54 3hbl h LYS 989 Cb 0.19 -0.27 -0.00 0.00 -1.58 0.00 0.00 32.23 30.58 3hbl h LYS 989 CO -0.01 0.78 0.03 0.28 -1.08 0.00 0.00 179.45 179.45 3hbl h VAL 990 N 1.21 1.10 -0.25 0.50 2.07 -1.09 -1.51 116.25 118.29 3hbl h VAL 990 Ca 0.42 -0.30 0.04 0.00 0.82 0.00 0.00 66.70 67.68 3hbl h VAL 990 Cb 0.11 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 3hbl h VAL 990 CO -0.16 0.09 0.01 -0.09 0.02 0.00 0.00 177.57 177.44 3hbl h ARG 991 N -0.01 0.09 -0.49 1.57 2.43 -0.69 -1.79 114.38 115.48 3hbl h ARG 991 Ca 0.02 -0.01 0.10 0.00 -0.81 0.00 0.00 59.98 59.29 3hbl h ARG 991 Cb 0.11 -0.02 -0.10 0.00 -0.42 0.00 0.00 29.97 29.54 3hbl h ARG 991 CO -0.00 0.06 -0.19 0.93 -1.51 0.00 0.00 179.97 179.25 3hbl h GLU 992 N 0.09 -0.08 -0.37 0.20 5.08 -0.57 -0.72 114.58 118.22 3hbl h GLU 992 Ca 0.12 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 3hbl h GLU 992 Cb 0.14 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 3hbl h GLU 992 CO -0.19 -0.05 0.17 1.25 -1.00 0.00 0.00 179.01 179.18 3hbl h LEU 993 N -0.08 0.49 -0.24 1.33 5.85 -1.00 -2.48 115.31 119.17 3hbl h LEU 993 Ca 0.23 -0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 3hbl h LEU 993 Cb 0.44 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 3hbl h LEU 993 CO -0.55 0.49 0.02 -0.07 -0.34 0.00 0.00 178.44 177.99 3hbl h LEU 994 N 0.45 0.40 -1.17 2.25 3.38 -0.92 -0.21 115.31 119.49 3hbl h LEU 994 Ca 0.12 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 3hbl h LEU 994 Cb 0.14 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 3hbl h LEU 994 CO -0.01 0.59 0.41 -0.33 0.09 0.00 0.00 178.44 179.19 3hbl h GLU 995 N 0.20 0.98 0.44 1.13 5.08 -1.13 0.25 114.58 121.55 3hbl h GLU 995 Ca 0.07 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 3hbl h GLU 995 Cb 0.37 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.42 3hbl h GLU 995 CO 0.01 0.71 -0.21 1.49 -1.00 0.00 0.00 179.01 180.00 3hbl h GLU 996 N 1.00 -0.57 -0.97 2.33 4.57 -1.30 -3.27 114.58 116.36 3hbl h GLU 996 Ca 0.26 0.04 0.11 0.00 -1.18 0.00 0.00 59.36 58.58 3hbl h GLU 996 Cb -0.01 0.13 -0.08 0.00 -0.16 0.00 0.00 28.75 28.63 3hbl h GLU 996 CO -0.05 -0.28 0.60 0.93 -1.18 0.00 0.00 179.01 179.04 3hbl h GLU 997 N -0.82 0.95 0.00 1.92 5.08 -0.56 -3.44 114.58 117.71 3hbl h GLU 997 Ca -0.06 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 3hbl h GLU 997 Cb 0.56 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.59 3hbl h GLU 997 CO 0.10 0.63 0.00 1.04 -1.00 0.00 0.00 179.01 179.78 3hbl n GLN 998 N -4.63 2.21 0.00 2.33 6.02 0.85 -5.09 117.38 119.07 3hbl n GLN 998 Ca 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.16 3hbl n GLN 998 Cb 0.32 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.58 3hbl n GLN 998 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3hbl n GLN 999 N -0.40 0.00 0.00 -1.09 0.00 -1.26 -4.84 117.38 109.78 3hbl n GLN 999 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.00 3hbl n GLN 999 Cb 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 30.24 29.73 3hbl n GLN 999 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3hbl n GLY 1000N 0.68 -0.54 3.57 2.61 0.00 -1.26 -4.81 105.19 105.44 3hbl n GLY 1000Ca 0.00 0.04 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 3hbl n GLY 1000CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hbl s PRO 1001N -1.81 2.15 -0.01 1.61 0.04 -1.26 -4.90 135.00 130.82 3hbl s PRO 1001Ca 0.00 -0.56 0.03 0.00 0.04 0.00 0.00 61.00 60.51 3hbl s PRO 1001Cb 0.00 -5.08 -0.03 0.00 0.04 0.00 0.00 34.50 29.43 3hbl s PRO 1001CO 0.00 -4.16 -0.10 0.08 0.04 0.00 0.00 177.00 172.86 3hbl s VAL 1002N 12.38 3.41 0.48 -0.36 1.01 -1.26 -5.12 120.40 130.94 3hbl s VAL 1002Ca 0.74 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.99 3hbl s VAL 1002Cb -0.05 -2.43 -0.03 0.00 0.00 0.00 0.00 36.38 33.87 3hbl s VAL 1002CO 0.09 0.46 0.04 0.42 0.00 0.00 0.00 175.10 176.12 3hbl s THR 1003N -0.90 1.48 0.17 3.92 -4.23 -1.26 -5.03 115.64 109.80 3hbl s THR 1003Ca 0.15 -1.95 -0.08 0.00 -1.18 0.00 0.00 61.69 58.63 3hbl s THR 1003Cb -0.11 -2.43 -0.00 0.00 1.34 0.00 0.00 72.50 71.30 3hbl s THR 1003CO 0.05 0.00 1.55 -0.33 -0.54 0.00 0.00 174.62 175.35 3hbl h GLU 1004N 1.42 0.88 -0.56 3.99 4.39 -2.00 -2.00 114.58 120.70 3hbl h GLU 1004Ca -0.43 -0.41 0.01 0.00 0.34 0.00 0.00 59.36 58.86 3hbl h GLU 1004Cb 1.29 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.90 3hbl h GLU 1004CO 0.75 1.05 0.37 1.96 -1.16 0.00 0.00 179.01 181.98 3hbl h GLN 1005N 0.74 0.74 -0.38 2.33 4.20 -1.96 -0.38 115.11 120.40 3hbl h GLN 1005Ca 0.08 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.72 3hbl h GLN 1005Cb 0.86 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.45 3hbl h GLN 1005CO 0.08 0.49 0.15 -0.44 -0.67 0.00 0.00 178.83 178.43 3hbl h ASP 1006N 0.77 0.53 0.65 1.46 3.32 -1.91 -2.92 116.42 118.31 3hbl h ASP 1006Ca 0.21 -0.17 -0.03 0.00 0.02 0.00 0.00 57.03 57.05 3hbl h ASP 1006Cb -0.09 -0.14 0.01 0.00 0.22 0.00 0.00 39.33 39.33 3hbl h ASP 1006CO -0.04 0.56 -0.32 0.40 -1.72 0.00 0.00 179.24 178.12 3hbl h ILE 1007N 0.47 0.35 0.00 0.35 2.04 -0.34 -0.74 117.51 119.64 3hbl h ILE 1007Ca 0.13 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.93 3hbl h ILE 1007Cb 0.20 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 3hbl h ILE 1007CO -0.01 0.00 -0.28 0.16 0.00 0.00 0.00 178.15 178.02 3hbl h ILE 1008N -0.88 0.83 -0.35 -0.67 -0.00 -1.46 -1.71 117.51 113.27 3hbl h ILE 1008Ca -0.09 -1.15 -0.05 0.00 -0.00 0.00 0.00 64.86 63.58 3hbl h ILE 1008Cb 0.68 1.70 -0.01 0.00 -0.00 0.00 0.00 36.82 39.19 3hbl h ILE 1008CO 0.14 0.28 0.03 0.28 -0.00 0.00 0.00 178.15 178.88 3hbl h SER 1009N 0.00 0.58 0.17 2.16 0.02 -1.29 0.27 113.55 115.46 3hbl h SER 1009Ca -0.00 -0.28 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 3hbl h SER 1009Cb 0.68 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.05 3hbl h SER 1009CO 0.04 0.72 -0.14 0.22 -1.14 0.00 0.00 176.83 176.52 3hbl h TYR 1010N 0.42 -0.37 -0.08 3.45 3.20 -0.90 0.75 116.97 123.44 3hbl h TYR 1010Ca 0.10 0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.01 3hbl h TYR 1010Cb 0.41 0.14 -0.05 0.00 1.54 0.00 0.00 36.73 38.76 3hbl h TYR 1010CO 0.03 -0.22 -0.28 0.28 -1.64 0.00 0.00 178.16 176.33 3hbl h VAL 1011N -0.33 0.36 -0.42 1.81 2.07 -1.00 0.36 116.25 119.10 3hbl h VAL 1011Ca -0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 3hbl h VAL 1011Cb 0.30 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 3hbl h VAL 1011CO -0.02 0.00 0.13 -0.07 0.02 0.00 0.00 177.57 177.63 3hbl h LEU 1012N -0.38 0.62 -6.19 2.57 3.38 -0.43 -3.36 115.31 111.52 3hbl h LEU 1012Ca 0.08 -0.21 -0.58 0.00 0.09 0.00 0.00 57.88 57.26 3hbl h LEU 1012Cb 0.50 -0.16 -0.40 0.00 0.09 0.00 0.00 40.66 40.69 3hbl h LEU 1012CO -0.29 0.67 -0.91 -1.22 0.09 0.00 0.00 178.44 176.77 3hbl n TYR 1013N -4.57 0.90 0.07 1.13 4.02 0.25 -4.59 117.16 114.36 3hbl n TYR 1013Ca 0.00 -3.74 -0.09 0.00 -0.01 0.00 0.00 57.90 54.06 3hbl n TYR 1013Cb 0.19 -0.33 -0.06 0.00 -0.02 0.00 0.00 39.34 39.12 3hbl n TYR 1013CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 3hbl h PRO 1014N 4.40 -0.41 -0.50 -0.72 0.11 -1.09 0.41 132.00 134.20 3hbl h PRO 1014Ca 0.14 0.03 -0.05 0.00 0.11 0.00 0.00 66.00 66.22 3hbl h PRO 1014Cb 0.82 0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.00 3hbl h PRO 1014CO 0.57 -0.27 0.10 -0.22 -0.21 0.00 0.00 178.00 177.96 3hbl h LYS 1015N -0.43 0.81 0.29 1.05 3.64 -1.95 -0.97 116.57 119.02 3hbl h LYS 1015Ca -0.00 -0.21 -0.01 0.00 -1.27 0.00 0.00 60.65 59.15 3hbl h LYS 1015Cb 0.43 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 3hbl h LYS 1015CO -0.16 0.80 -0.14 0.28 -2.27 0.00 0.00 179.45 177.96 3hbl h VAL 1016N 0.69 0.73 -0.41 2.00 2.07 -1.94 -2.17 116.25 117.22 3hbl h VAL 1016Ca 0.15 -0.15 0.07 0.00 0.82 0.00 0.00 66.70 67.60 3hbl h VAL 1016Cb 0.37 0.82 -0.06 0.00 -1.52 0.00 0.00 31.29 30.89 3hbl h VAL 1016CO 0.01 0.03 0.02 0.22 0.02 0.00 0.00 177.57 177.87 3hbl h TYR 1017N -0.47 0.02 -0.93 1.57 3.20 0.03 0.35 116.97 120.73 3hbl h TYR 1017Ca -0.04 0.03 0.17 0.00 3.14 0.00 0.00 58.73 62.03 3hbl h TYR 1017Cb 0.36 0.06 -0.08 0.00 1.54 0.00 0.00 36.73 38.60 3hbl h TYR 1017CO -0.04 -0.06 0.60 0.93 -1.64 0.00 0.00 178.16 177.95 3hbl h GLU 1018N 0.13 0.62 -0.09 1.82 4.39 -1.06 -1.28 114.58 119.12 3hbl h GLU 1018Ca 0.20 -0.04 -0.22 0.00 0.34 0.00 0.00 59.36 59.64 3hbl h GLU 1018Cb 0.28 -0.14 0.01 0.00 -0.10 0.00 0.00 28.75 28.80 3hbl h GLU 1018CO -0.32 0.41 -0.84 1.96 -1.16 0.00 0.00 179.01 179.06 3hbl h GLN 1019N 0.64 0.64 -0.76 2.33 4.20 -0.40 -2.70 115.11 119.07 3hbl h GLN 1019Ca 0.49 -0.57 0.13 0.00 0.06 0.00 0.00 58.65 58.75 3hbl h GLN 1019Cb 0.89 0.13 -0.09 0.00 0.30 0.00 0.00 27.48 28.72 3hbl h GLN 1019CO -0.24 1.19 0.35 -0.92 -0.67 0.00 0.00 178.83 178.53 3hbl h TYR 1020N 0.42 0.61 0.25 2.96 3.20 0.14 -1.71 116.97 122.83 3hbl h TYR 1020Ca -0.07 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.83 3hbl h TYR 1020Cb 1.46 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 39.58 3hbl h TYR 1020CO 0.08 0.15 -0.12 0.82 -1.64 0.00 0.00 178.16 177.45 3hbl h ILE 1021N 0.54 0.82 -0.53 1.81 1.08 -1.36 0.21 117.51 120.08 3hbl h ILE 1021Ca 0.40 -0.50 0.15 0.00 -0.39 0.00 0.00 64.86 64.52 3hbl h ILE 1021Cb 0.54 1.10 -0.02 0.00 -3.07 0.00 0.00 36.82 35.37 3hbl h ILE 1021CO -0.35 0.11 0.43 1.56 -0.69 0.00 0.00 178.15 179.21 3hbl h GLN 1022N -0.59 0.00 0.16 2.37 1.08 -1.24 0.17 115.11 117.07 3hbl h GLN 1022Ca -0.03 0.00 -0.25 0.00 -1.45 0.00 0.00 58.65 56.92 3hbl h GLN 1022Cb 0.43 0.00 0.03 0.00 -0.05 0.00 0.00 27.48 27.89 3hbl h GLN 1022CO 0.06 0.00 -1.06 1.15 -0.95 0.00 0.00 178.83 178.02 3hbl h THR 1023N 0.00 1.40 -0.51 -0.54 2.02 -0.93 -3.03 112.91 111.32 3hbl h THR 1023Ca 0.25 -2.54 0.04 0.00 0.77 0.00 0.00 66.41 64.93 3hbl h THR 1023Cb 1.10 3.04 -0.04 0.00 -1.74 0.00 0.00 68.15 70.51 3hbl h THR 1023CO -0.00 0.74 0.27 -0.09 0.37 0.00 0.00 175.52 176.81 3hbl h ARG 1024N -0.10 0.51 -0.82 6.66 2.43 0.16 -0.46 114.38 122.74 3hbl h ARG 1024Ca -0.18 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.96 3hbl h ARG 1024Cb 1.82 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 31.21 3hbl h ARG 1024CO 0.20 0.34 0.53 -0.91 -1.51 0.00 0.00 179.97 178.62 3hbl h ASN 1025N 0.52 0.96 0.40 -3.80 -0.26 -0.87 0.15 115.58 112.68 3hbl h ASN 1025Ca 0.22 -0.04 -0.27 0.00 -0.56 0.00 0.00 56.30 55.65 3hbl h ASN 1025Cb 0.11 -0.24 0.01 0.00 -1.06 0.00 0.00 38.32 37.14 3hbl h ASN 1025CO -0.14 0.71 -1.17 -0.61 -1.06 0.00 0.00 177.43 175.16 3hbl h GLN 1026N 1.12 0.41 0.00 0.81 4.15 -1.35 -3.40 115.11 116.84 3hbl h GLN 1026Ca 0.30 -0.57 0.00 0.00 0.77 0.00 0.00 58.65 59.15 3hbl h GLN 1026Cb -0.11 0.19 0.00 0.00 0.21 0.00 0.00 27.48 27.78 3hbl h GLN 1026CO -0.06 1.23 0.00 0.66 -1.93 0.00 0.00 178.83 178.73 3hbl n TYR 1027N -3.67 0.00 -3.96 3.99 0.53 -0.21 -4.74 117.16 109.10 3hbl n TYR 1027Ca -0.10 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.78 3hbl n TYR 1027Cb 0.96 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 39.27 3hbl n TYR 1027CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3hbl n GLY 1028N 0.56 -0.86 3.48 2.72 0.00 0.53 -4.29 105.19 107.33 3hbl n GLY 1028Ca 0.00 -1.21 -0.43 0.00 0.00 0.00 0.00 46.02 44.38 3hbl n GLY 1028CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hbl s ASN 1029N -4.00 6.77 0.59 1.61 3.04 -1.26 -4.54 114.94 117.14 3hbl s ASN 1029Ca 0.00 -2.29 0.30 0.00 0.04 0.00 0.00 52.86 50.91 3hbl s ASN 1029Cb 0.00 -2.44 1.79 0.00 -1.54 0.00 0.00 41.25 39.06 3hbl s ASN 1029CO 0.00 -1.04 2.21 -0.07 -3.04 0.00 0.00 177.10 175.16 3hbl h LEU 1030N 10.72 0.00 0.00 3.21 3.38 -1.83 -2.58 115.31 128.21 3hbl h LEU 1030Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 3hbl h LEU 1030Cb 0.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.71 3hbl h LEU 1030CO 1.22 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 178.21 3hbl n SER 1031N -3.81 0.00 -0.12 -0.43 3.41 -1.26 -1.57 113.62 109.84 3hbl n SER 1031Ca -0.02 0.33 0.11 0.00 -0.26 0.00 0.00 58.87 59.04 3hbl n SER 1031Cb 0.16 -0.39 0.12 0.00 -0.26 0.00 0.00 64.21 63.84 3hbl n SER 1031CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3hbl n LEU 1032N -1.39 0.99 -4.77 1.04 4.77 -0.97 -4.23 117.00 112.44 3hbl n LEU 1032Ca 0.03 -0.32 -0.39 0.00 -0.03 0.00 0.00 56.01 55.30 3hbl n LEU 1032Cb 0.08 -0.11 -0.04 0.00 -2.33 0.00 0.00 43.42 41.02 3hbl n LEU 1032CO 0.07 0.21 0.81 -0.76 -1.33 0.00 0.00 177.39 176.39 3hbl s LEU 1033N -2.83 4.39 0.59 2.23 1.43 -0.61 -4.46 118.68 119.43 3hbl s LEU 1033Ca 0.14 2.28 -0.18 0.00 -1.03 0.00 0.00 54.13 55.33 3hbl s LEU 1033Cb 0.17 -3.82 -0.04 0.00 0.03 0.00 0.00 46.19 42.54 3hbl s LEU 1033CO 0.70 -0.35 1.17 1.51 0.23 0.00 0.00 176.35 179.61 3hbl s ASP 1034N -1.03 5.29 0.15 2.29 1.47 -1.26 -4.81 116.67 118.77 3hbl s ASP 1034Ca 0.50 2.28 -0.16 0.00 1.18 0.00 0.00 52.55 56.35 3hbl s ASP 1034Cb -0.30 -2.59 0.02 0.00 -0.34 0.00 0.00 42.92 39.70 3hbl s ASP 1034CO 0.39 -1.52 1.77 0.74 0.68 0.00 0.00 175.17 177.24 3hbl h THR 1035N 0.83 1.14 -0.55 2.11 2.02 -1.97 -1.65 112.91 114.85 3hbl h THR 1035Ca -0.50 -0.34 0.10 0.00 0.77 0.00 0.00 66.41 66.45 3hbl h THR 1035Cb 1.28 0.60 -0.08 0.00 -1.74 0.00 0.00 68.15 68.21 3hbl h THR 1035CO 0.55 0.14 0.07 -0.65 0.37 0.00 0.00 175.52 176.01 3hbl h PRO 1036N 0.55 0.19 -0.86 6.66 0.11 -1.93 -2.09 132.00 134.64 3hbl h PRO 1036Ca 0.15 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.25 3hbl h PRO 1036Cb 0.02 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 31.04 3hbl h PRO 1036CO -0.03 0.13 0.53 1.15 -0.21 0.00 0.00 178.00 179.57 3hbl h THR 1037N 0.20 1.24 -0.43 -1.15 2.02 -1.64 -0.77 112.91 112.37 3hbl h THR 1037Ca 0.29 -0.50 0.03 0.00 0.77 0.00 0.00 66.41 66.99 3hbl h THR 1037Cb 0.43 0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 66.83 3hbl h THR 1037CO -0.41 0.24 0.29 0.15 0.37 0.00 0.00 175.52 176.17 3hbl h PHE 1038N 1.18 0.46 0.00 3.16 3.57 -0.73 0.22 116.94 124.80 3hbl h PHE 1038Ca 0.31 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.82 3hbl h PHE 1038Cb -0.06 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.52 3hbl h PHE 1038CO -0.00 0.27 -1.90 1.19 -2.23 0.00 0.00 178.31 175.64 3hbl n PHE 1039N -4.48 0.04 0.00 0.41 0.99 -0.84 -4.66 117.46 108.92 3hbl n PHE 1039Ca 0.04 0.01 0.00 0.00 -0.00 0.00 0.00 57.45 57.51 3hbl n PHE 1039Cb 0.14 -0.49 0.00 0.00 -1.00 0.00 0.00 39.48 38.13 3hbl n PHE 1039CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.76 177.95 3hbl n PHE 1040N -2.24 0.00 0.00 1.38 3.01 -0.33 -4.39 117.46 114.89 3hbl n PHE 1040Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.43 3hbl n PHE 1040Cb 0.56 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.03 3hbl n PHE 1040CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3hbl n GLY 1041N 1.20 2.21 3.11 1.37 0.00 0.76 -4.00 105.19 109.84 3hbl n GLY 1041Ca 0.00 -0.36 -0.11 0.00 0.00 0.00 0.00 46.02 45.54 3hbl n GLY 1041CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3hbl s MET 1042N 0.00 0.50 0.45 1.61 -1.94 -1.26 -4.36 119.30 114.30 3hbl s MET 1042Ca 0.00 -0.43 0.08 0.00 -1.71 0.00 0.00 55.69 53.63 3hbl s MET 1042Cb 0.00 0.21 0.01 0.00 2.01 0.00 0.00 34.83 37.06 3hbl s MET 1042CO 0.00 -0.12 0.48 -0.98 -0.01 0.00 0.00 175.02 174.39 3hbl s ARG 1043N -1.49 2.54 0.13 2.03 1.70 -1.26 -4.86 118.95 117.74 3hbl s ARG 1043Ca -0.14 -1.54 -0.31 0.00 -0.47 0.00 0.00 55.73 53.27 3hbl s ARG 1043Cb -0.07 -2.47 -0.09 0.00 -0.57 0.00 0.00 34.95 31.75 3hbl s ARG 1043CO 0.01 -0.35 1.48 -0.80 -1.08 0.00 0.00 175.30 174.57 3hbl s ASN 1044N -4.27 6.71 0.00 -2.89 0.02 -1.26 -2.44 114.94 110.80 3hbl s ASN 1044Ca 0.50 2.46 0.00 0.00 -1.02 0.00 0.00 52.86 54.80 3hbl s ASN 1044Cb -0.05 -2.59 0.00 0.00 0.02 0.00 0.00 41.25 38.63 3hbl s ASN 1044CO 0.30 -0.74 0.00 0.61 0.02 0.00 0.00 177.10 177.28 3hbl n GLY 1045N 3.64 1.45 3.79 0.66 0.00 0.45 -5.03 105.19 110.15 3hbl n GLY 1045Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 3hbl n GLY 1045CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hbl s GLU 1046N -0.34 4.25 -0.12 1.61 2.12 -1.02 -4.86 118.70 120.34 3hbl s GLU 1046Ca 0.00 1.39 0.03 0.00 0.36 0.00 0.00 54.97 56.75 3hbl s GLU 1046Cb 0.00 -2.51 0.00 0.00 0.26 0.00 0.00 34.13 31.89 3hbl s GLU 1046CO 0.00 -0.04 -0.23 0.99 -0.54 0.00 0.00 175.26 175.44 3hbl s THR 1047N -1.76 2.09 0.18 -1.70 2.01 -1.26 -2.18 115.64 113.01 3hbl s THR 1047Ca 0.57 -0.99 0.11 0.00 0.31 0.00 0.00 61.69 61.69 3hbl s THR 1047Cb -0.19 -1.81 -0.04 0.00 0.01 0.00 0.00 72.50 70.47 3hbl s THR 1047CO 0.24 0.55 -0.21 0.54 -0.69 0.00 0.00 174.62 175.04 3hbl s VAL 1048N 0.57 2.52 -0.34 3.82 0.11 -0.05 -4.98 120.40 122.05 3hbl s VAL 1048Ca -0.13 -1.91 0.01 0.00 -2.93 0.00 0.00 61.98 57.02 3hbl s VAL 1048Cb -0.17 -2.20 0.11 0.00 -1.53 0.00 0.00 36.38 32.59 3hbl s VAL 1048CO 0.04 -0.08 0.10 -0.70 -3.33 0.00 0.00 175.10 171.13 3hbl s GLU 1049N -2.61 1.09 -0.37 1.54 2.12 -1.26 -1.18 118.70 118.04 3hbl s GLU 1049Ca 0.21 -1.52 -0.18 0.00 0.36 0.00 0.00 54.97 53.84 3hbl s GLU 1049Cb -0.08 -2.50 0.00 0.00 0.26 0.00 0.00 34.13 31.80 3hbl s GLU 1049CO 0.10 -0.99 0.50 0.42 -0.54 0.00 0.00 175.26 174.75 3hbl s ILE 1050N 1.15 5.02 -0.32 -3.70 1.01 0.47 -4.91 121.20 119.93 3hbl s ILE 1050Ca 0.11 0.21 -0.29 0.00 0.00 0.00 0.00 60.65 60.68 3hbl s ILE 1050Cb -0.19 -3.98 -0.01 0.00 0.01 0.00 0.00 42.46 38.29 3hbl s ILE 1050CO -0.15 -0.26 1.49 -0.70 0.00 0.00 0.00 174.94 175.32 3hbl s GLU 1051N 2.36 3.69 -0.17 2.79 2.56 -1.26 -0.98 118.70 127.69 3hbl s GLU 1051Ca 0.17 1.28 -0.10 0.00 0.00 0.00 0.00 54.97 56.33 3hbl s GLU 1051Cb -0.16 -4.01 -0.22 0.00 2.00 0.00 0.00 34.13 31.74 3hbl s GLU 1051CO 0.14 -1.41 0.19 -0.89 -0.56 0.00 0.00 175.26 172.73 3hbl n ILE 1052N 6.71 1.66 -3.83 -3.70 5.41 -0.13 -4.88 119.36 120.60 3hbl n ILE 1052Ca 0.18 -0.46 -0.07 0.00 1.00 0.00 0.00 62.75 63.40 3hbl n ILE 1052Cb 0.47 -1.79 0.00 0.00 -0.71 0.00 0.00 39.64 37.61 3hbl n ILE 1052CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3hbl s ASP 1053N -6.96 -0.11 -0.19 4.38 3.68 -0.50 -5.00 116.67 111.97 3hbl s ASP 1053Ca -0.27 -0.82 -0.28 0.00 2.13 0.00 0.00 52.55 53.30 3hbl s ASP 1053Cb 0.07 0.73 -0.05 0.00 -1.45 0.00 0.00 42.92 42.22 3hbl s ASP 1053CO 0.68 -1.41 2.13 -0.54 0.13 0.00 0.00 175.17 176.16 3hbl s LYS 1054N -2.97 3.32 0.00 4.34 1.02 -1.26 -1.07 119.74 123.12 3hbl s LYS 1054Ca 0.14 2.06 0.00 0.00 0.02 0.00 0.00 55.97 58.19 3hbl s LYS 1054Cb -0.05 -4.32 0.00 0.00 -0.52 0.00 0.00 37.83 32.95 3hbl s LYS 1054CO 0.08 -1.88 0.00 0.41 -0.92 0.00 0.00 175.35 173.04 3hbl n GLY 1055N 5.51 1.49 3.22 -3.33 0.00 -1.26 -5.02 105.19 105.80 3hbl n GLY 1055Ca 0.27 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.94 3hbl n GLY 1055CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hbl s LYS 1056N -0.57 2.71 -0.03 1.61 1.02 -0.23 -5.09 119.74 119.15 3hbl s LYS 1056Ca 0.00 -1.08 -0.06 0.00 0.02 0.00 0.00 55.97 54.84 3hbl s LYS 1056Cb 0.00 -3.16 0.01 0.00 -0.52 0.00 0.00 37.83 34.16 3hbl s LYS 1056CO 0.00 -0.51 0.15 -0.98 -0.92 0.00 0.00 175.35 173.09 3hbl s ARG 1057N 1.33 0.34 -0.30 1.68 1.70 -1.26 -0.96 118.95 121.48 3hbl s ARG 1057Ca -0.02 -0.09 -0.13 0.00 -0.47 0.00 0.00 55.73 55.03 3hbl s ARG 1057Cb -0.18 0.15 -0.04 0.00 -0.57 0.00 0.00 34.95 34.31 3hbl s ARG 1057CO -0.02 -0.07 0.26 -0.51 -1.08 0.00 0.00 175.30 173.88 3hbl s LEU 1058N -0.65 4.19 -0.39 -1.89 1.43 -0.15 -4.92 118.68 116.30 3hbl s LEU 1058Ca -0.07 -0.08 -0.17 0.00 -1.03 0.00 0.00 54.13 52.78 3hbl s LEU 1058Cb -0.04 -2.21 0.01 0.00 0.03 0.00 0.00 46.19 43.98 3hbl s LEU 1058CO 0.01 -0.15 0.42 -0.63 0.23 0.00 0.00 176.35 176.23 3hbl s ILE 1059N 1.84 5.10 -0.11 -0.59 -1.09 -1.26 -0.39 121.20 124.69 3hbl s ILE 1059Ca 0.09 -0.13 0.01 0.00 -2.23 0.00 0.00 60.65 58.39 3hbl s ILE 1059Cb -0.16 -3.96 -0.02 0.00 -1.58 0.00 0.00 42.46 36.74 3hbl s ILE 1059CO 0.11 -0.29 -0.15 -0.63 -1.23 0.00 0.00 174.94 172.75 3hbl s ILE 1060N 2.14 2.93 -0.16 2.92 1.01 -0.33 0.35 121.20 130.07 3hbl s ILE 1060Ca 0.13 -0.72 0.02 0.00 0.00 0.00 0.00 60.65 60.08 3hbl s ILE 1060Cb -0.17 -2.21 0.01 0.00 0.01 0.00 0.00 42.46 40.11 3hbl s ILE 1060CO 0.13 0.54 -0.20 -0.75 0.00 0.00 0.00 174.94 174.65 3hbl s LYS 1061N 0.17 3.02 -0.24 2.79 2.20 0.24 -0.87 119.74 127.04 3hbl s LYS 1061Ca -0.08 -0.83 -0.24 0.00 -0.36 0.00 0.00 55.97 54.46 3hbl s LYS 1061Cb -0.15 -2.52 -0.01 0.00 -1.51 0.00 0.00 37.83 33.64 3hbl s LYS 1061CO 0.05 -0.11 0.78 -1.17 -0.36 0.00 0.00 175.35 174.55 3hbl s LEU 1062N 1.05 4.08 -0.16 5.43 0.20 -0.93 -0.94 118.68 127.40 3hbl s LEU 1062Ca -0.01 0.96 -0.13 0.00 0.69 0.00 0.00 54.13 55.64 3hbl s LEU 1062Cb -0.14 -3.11 -0.08 0.00 -0.43 0.00 0.00 46.19 42.43 3hbl s LEU 1062CO -0.07 -0.48 -0.09 -0.62 -0.29 0.00 0.00 176.35 174.80 3hbl n GLU 1063N 5.94 0.49 -3.49 1.98 1.02 0.17 -0.41 120.64 126.33 3hbl n GLU 1063Ca 0.04 0.52 -0.11 0.00 -0.02 0.00 0.00 57.16 57.59 3hbl n GLU 1063Cb 0.48 -1.69 -0.02 0.00 -0.02 0.00 0.00 31.44 30.19 3hbl n GLU 1063CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3hbl s THR 1064N -2.31 0.00 -0.11 2.62 2.01 -1.21 -4.05 115.64 112.58 3hbl s THR 1064Ca -0.20 -0.15 0.02 0.00 0.31 0.00 0.00 61.69 61.68 3hbl s THR 1064Cb 0.03 -1.15 -0.01 0.00 0.01 0.00 0.00 72.50 71.39 3hbl s THR 1064CO 0.33 0.00 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.44 3hbl s ILE 1065N -3.74 2.46 0.78 1.82 1.01 -1.26 -1.04 121.20 121.22 3hbl s ILE 1065Ca 0.03 -0.88 -0.12 0.00 0.00 0.00 0.00 60.65 59.69 3hbl s ILE 1065Cb -0.02 -1.98 0.06 0.00 0.01 0.00 0.00 42.46 40.53 3hbl s ILE 1065CO -0.10 0.54 1.12 -0.94 0.00 0.00 0.00 174.94 175.57 3hbl s SER 1066N 0.37 4.75 0.77 3.58 1.04 -0.32 -4.98 113.70 118.91 3hbl s SER 1066Ca -0.15 1.05 -0.13 0.00 0.48 0.00 0.00 55.95 57.20 3hbl s SER 1066Cb -0.17 -1.73 0.06 0.00 0.10 0.00 0.00 66.02 64.28 3hbl s SER 1066CO 0.07 -1.77 1.18 -1.61 0.98 0.00 0.00 173.24 172.08 3hbl s GLU 1067N -5.37 1.92 0.43 4.02 0.41 -1.26 -4.38 118.70 114.47 3hbl s GLU 1067Ca 0.60 1.64 -0.22 0.00 -0.41 0.00 0.00 54.97 56.58 3hbl s GLU 1067Cb -0.12 -1.82 -0.09 0.00 -1.78 0.00 0.00 34.13 30.32 3hbl s GLU 1067CO 0.52 -1.98 1.04 -2.14 -0.49 0.00 0.00 175.26 172.21 3hbl s PRO 1068N -4.19 4.02 0.07 0.39 0.02 -1.26 -4.46 135.00 129.59 3hbl s PRO 1068Ca 0.71 1.45 -0.01 0.00 0.02 0.00 0.00 61.00 63.16 3hbl s PRO 1068Cb -0.26 -2.36 0.02 0.00 0.02 0.00 0.00 34.50 31.92 3hbl s PRO 1068CO 0.49 -0.26 0.09 -0.40 -0.33 0.00 0.00 177.00 176.59 3hbl n ASP 1069N -0.44 -0.24 0.00 2.53 3.85 -0.04 -1.29 116.55 120.92 3hbl n ASP 1069Ca 0.07 -0.92 0.02 0.00 -0.71 0.00 0.00 54.79 53.24 3hbl n ASP 1069Cb 0.51 -0.07 0.10 0.00 -1.35 0.00 0.00 41.12 40.31 3hbl n ASP 1069CO 0.00 0.00 0.00 -1.84 -1.01 0.00 0.00 177.20 174.35 3hbl n GLU 1070N -1.32 0.29 0.00 0.11 0.00 -1.05 -1.34 120.64 117.32 3hbl n GLU 1070Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.17 3hbl n GLU 1070Cb 0.04 -1.18 0.00 0.00 0.00 0.00 0.00 31.44 30.30 3hbl n GLU 1070CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3hbl n ASN 1071N -0.68 1.22 -0.02 -1.84 5.03 -1.26 -4.86 115.26 112.85 3hbl n ASN 1071Ca 0.03 -1.32 -0.00 0.00 0.87 0.00 0.00 54.58 54.16 3hbl n ASN 1071Cb 0.01 0.00 -0.00 0.00 -1.02 0.00 0.00 39.78 38.77 3hbl n ASN 1071CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3hbl n GLY 1072N -0.16 0.44 3.65 7.41 0.00 -0.45 -4.85 105.19 111.23 3hbl n GLY 1072Ca 0.00 -0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 3hbl n GLY 1072CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hbl s ASN 1073N -2.07 6.79 0.08 1.61 0.01 -1.26 0.06 114.94 120.17 3hbl s ASN 1073Ca 0.00 0.97 -0.02 0.00 -0.71 0.00 0.00 52.86 53.10 3hbl s ASN 1073Cb 0.00 -2.41 -0.05 0.00 0.41 0.00 0.00 41.25 39.20 3hbl s ASN 1073CO 0.00 -0.43 0.28 -0.13 -1.51 0.00 0.00 177.10 175.30 3hbl s ARG 1074N 2.51 3.52 -0.27 -0.60 0.52 -0.11 -0.86 118.95 123.67 3hbl s ARG 1074Ca 0.33 -0.28 -0.08 0.00 -0.52 0.00 0.00 55.73 55.18 3hbl s ARG 1074Cb -0.16 -2.97 -0.02 0.00 0.52 0.00 0.00 34.95 32.32 3hbl s ARG 1074CO 0.09 0.56 0.09 0.99 0.02 0.00 0.00 175.30 177.05 3hbl s THR 1075N -1.54 4.38 -0.17 0.02 2.01 -1.26 -2.18 115.64 116.90 3hbl s THR 1075Ca 0.36 -0.25 -0.14 0.00 0.31 0.00 0.00 61.69 61.98 3hbl s THR 1075Cb -0.13 -3.11 -0.05 0.00 0.01 0.00 0.00 72.50 69.23 3hbl s THR 1075CO 0.26 0.26 0.29 -0.63 -0.69 0.00 0.00 174.62 174.11 3hbl s ILE 1076N 1.61 5.30 -0.44 1.82 1.01 0.02 -1.18 121.20 129.35 3hbl s ILE 1076Ca 0.06 0.54 -0.16 0.00 0.00 0.00 0.00 60.65 61.09 3hbl s ILE 1076Cb -0.16 -3.63 0.04 0.00 0.01 0.00 0.00 42.46 38.72 3hbl s ILE 1076CO 0.04 0.37 0.39 -0.31 0.00 0.00 0.00 174.94 175.44 3hbl s TYR 1077N 0.60 3.21 0.22 3.97 1.51 -0.20 -1.96 117.35 124.69 3hbl s TYR 1077Ca 0.16 -0.66 0.07 0.00 -1.01 0.00 0.00 57.07 55.63 3hbl s TYR 1077Cb -0.13 -2.94 -0.04 0.00 -0.11 0.00 0.00 41.96 38.74 3hbl s TYR 1077CO 0.04 -0.73 0.10 0.71 -1.11 0.00 0.00 175.55 174.56 3hbl s TYR 1078N 1.85 2.97 -0.23 2.71 1.51 0.99 -0.66 117.35 126.50 3hbl s TYR 1078Ca 0.07 -0.12 -0.02 0.00 -1.01 0.00 0.00 57.07 55.99 3hbl s TYR 1078Cb -0.20 -1.38 0.01 0.00 -0.11 0.00 0.00 41.96 40.28 3hbl s TYR 1078CO 0.10 0.54 -0.07 0.00 -1.11 0.00 0.00 175.55 175.01 3hbl s ALA 1079N -2.00 2.69 -0.54 3.71 0.00 -0.11 -0.76 121.76 124.74 3hbl s ALA 1079Ca 0.31 -1.33 -0.13 0.00 0.00 0.00 0.00 51.96 50.81 3hbl s ALA 1079Cb -0.08 -1.63 0.13 0.00 0.00 0.00 0.00 23.12 21.54 3hbl s ALA 1079CO 0.22 -0.63 0.46 -1.64 0.00 0.00 0.00 175.76 174.18 3hbl s MET 1080N 1.37 2.84 -0.24 0.00 -1.94 -0.43 -0.59 119.30 120.31 3hbl s MET 1080Ca 0.03 -1.82 -0.21 0.00 -1.71 0.00 0.00 55.69 51.98 3hbl s MET 1080Cb -0.15 -4.16 0.03 0.00 2.01 0.00 0.00 34.83 32.56 3hbl s MET 1080CO -0.05 -1.27 0.36 0.27 -0.01 0.00 0.00 175.02 174.31 3hbl n ASN 1081N 4.97 -3.55 0.00 3.03 0.23 0.16 -2.63 115.26 117.47 3hbl n ASN 1081Ca -0.09 -0.05 0.00 0.00 -0.53 0.00 0.00 54.58 53.91 3hbl n ASN 1081Cb 0.41 -1.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.11 3hbl n ASN 1081CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3hbl n GLY 1082N 0.06 2.35 3.39 4.83 0.00 -1.26 -5.02 105.19 109.54 3hbl n GLY 1082Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 3hbl n GLY 1082CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hbl s GLN 1083N -0.44 2.87 0.43 1.61 -0.21 -1.08 -5.11 119.66 117.74 3hbl s GLN 1083Ca 0.00 -0.73 -0.25 0.00 0.02 0.00 0.00 55.36 54.40 3hbl s GLN 1083Cb 0.00 -2.43 -0.08 0.00 1.00 0.00 0.00 33.01 31.50 3hbl s GLN 1083CO 0.00 0.41 1.25 0.00 -2.12 0.00 0.00 175.29 174.83 3hbl s ALA 1084N -0.18 3.13 -0.23 6.09 0.00 -1.26 -1.32 121.76 127.99 3hbl s ALA 1084Ca -0.01 1.13 -0.19 0.00 0.00 0.00 0.00 51.96 52.90 3hbl s ALA 1084Cb -0.13 -3.45 0.06 0.00 0.00 0.00 0.00 23.12 19.60 3hbl s ALA 1084CO 0.03 -0.79 0.60 0.50 0.00 0.00 0.00 175.76 176.10 3hbl s ARG 1085N -2.42 0.67 -0.06 0.00 6.06 0.06 -4.84 118.95 118.41 3hbl s ARG 1085Ca 0.60 0.91 0.03 0.00 -2.50 0.00 0.00 55.73 54.77 3hbl s ARG 1085Cb -0.35 0.26 0.00 0.00 0.06 0.00 0.00 34.95 34.93 3hbl s ARG 1085CO 0.44 -0.11 -0.17 1.03 -2.50 0.00 0.00 175.30 174.00 3hbl s ARG 1086N 0.70 1.99 0.06 5.12 0.52 -1.26 -0.00 118.95 126.08 3hbl s ARG 1086Ca -0.03 -0.59 0.05 0.00 -0.52 0.00 0.00 55.73 54.64 3hbl s ARG 1086Cb -0.05 -1.64 -0.03 0.00 0.52 0.00 0.00 34.95 33.75 3hbl s ARG 1086CO -0.05 0.15 -0.13 0.42 0.02 0.00 0.00 175.30 175.71 3hbl s ILE 1087N 0.33 1.03 -0.06 1.52 -1.09 -0.83 -4.94 121.20 117.17 3hbl s ILE 1087Ca -0.11 -1.24 0.04 0.00 -2.23 0.00 0.00 60.65 57.11 3hbl s ILE 1087Cb -0.14 -1.00 -0.02 0.00 -1.58 0.00 0.00 42.46 39.72 3hbl s ILE 1087CO 0.04 -0.23 -0.18 -0.31 -1.23 0.00 0.00 174.94 173.03 3hbl s TYR 1088N -1.25 2.61 -0.06 3.97 1.51 -1.26 -0.80 117.35 122.07 3hbl s TYR 1088Ca -0.03 -0.37 -0.02 0.00 -1.01 0.00 0.00 57.07 55.64 3hbl s TYR 1088Cb -0.10 -1.63 0.04 0.00 -0.11 0.00 0.00 41.96 40.16 3hbl s TYR 1088CO 0.02 0.03 0.13 0.42 -1.11 0.00 0.00 175.55 175.03 3hbl s ILE 1089N -0.47 -0.05 -0.01 2.71 1.09 -0.93 -4.99 121.20 118.56 3hbl s ILE 1089Ca 0.06 0.19 -0.30 0.00 -1.10 0.00 0.00 60.65 59.49 3hbl s ILE 1089Cb -0.12 -0.22 -0.05 0.00 -1.06 0.00 0.00 42.46 41.02 3hbl s ILE 1089CO 0.01 0.08 1.30 -0.75 -0.10 0.00 0.00 174.94 175.48 3hbl s LYS 1090N 1.16 4.33 -0.34 2.79 2.47 -1.26 -0.93 119.74 127.95 3hbl s LYS 1090Ca -0.09 1.83 -0.13 0.00 -1.56 0.00 0.00 55.97 56.02 3hbl s LYS 1090Cb -0.12 -3.53 -0.02 0.00 -1.46 0.00 0.00 37.83 32.71 3hbl s LYS 1090CO -0.05 -0.49 0.27 0.34 0.16 0.00 0.00 175.35 175.58 3hbl s ASP 1091N 1.60 6.09 -0.87 1.43 2.15 0.11 -4.96 116.67 122.21 3hbl s ASP 1091Ca 0.60 -0.40 -0.25 0.00 0.43 0.00 0.00 52.55 52.93 3hbl s ASP 1091Cb -0.29 -2.15 0.02 0.00 -0.30 0.00 0.00 42.92 40.20 3hbl s ASP 1091CO 0.25 -0.26 1.54 -1.61 -0.17 0.00 0.00 175.17 174.92 3hbl s GLU 1092N 1.78 3.18 0.46 4.34 8.01 -1.26 -4.86 118.70 130.34 3hbl s GLU 1092Ca 0.07 -0.53 0.12 0.00 0.01 0.00 0.00 54.97 54.64 3hbl s GLU 1092Cb -0.17 -4.87 1.03 0.00 -4.31 0.00 0.00 34.13 25.81 3hbl s GLU 1092CO 0.11 -2.46 2.06 -0.91 0.01 0.00 0.00 175.26 174.07 3hbl h ASN 1093N 10.72 0.18 -4.48 -0.19 2.35 -1.95 -3.48 115.58 118.73 3hbl h ASN 1093Ca -0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3hbl h ASN 1093Cb 1.04 -0.05 -0.05 0.00 0.05 0.00 0.00 38.32 39.31 3hbl h ASN 1093CO 1.33 0.19 -0.94 0.52 -1.65 0.00 0.00 177.43 176.87 3hbl n VAL 1094N -4.45 -9.72 -0.19 2.81 0.31 -1.26 -4.97 118.33 100.86 3hbl n VAL 1094Ca -0.01 1.69 0.02 0.00 -0.01 0.00 0.00 64.34 66.03 3hbl n VAL 1094Cb 0.13 -5.91 -0.01 0.00 -0.91 0.00 0.00 33.84 27.13 3hbl n VAL 1094CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 3hbl n HIS 1095N 0.87 -0.51 -3.82 3.52 8.25 -1.26 -5.01 115.22 117.27 3hbl n HIS 1095Ca -0.16 0.28 -0.26 0.00 -0.26 0.00 0.00 57.72 57.33 3hbl n HIS 1095Cb 0.24 -0.46 -0.17 0.00 1.12 0.00 0.00 29.99 30.72 3hbl n HIS 1095CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3hbl s THR 1096N -3.15 0.69 0.00 1.59 -4.23 -1.26 -4.90 115.64 104.38 3hbl s THR 1096Ca 0.00 -0.23 0.00 0.00 -1.18 0.00 0.00 61.69 60.28 3hbl s THR 1096Cb 0.00 -0.88 0.00 0.00 1.34 0.00 0.00 72.50 72.96 3hbl s THR 1096CO 0.00 0.18 0.00 -0.46 -0.54 0.00 0.00 174.62 173.80 3hbl n ASN 1097N 5.03 0.00 -0.35 3.99 6.94 -1.26 -4.27 115.26 125.33 3hbl n ASN 1097Ca -0.10 0.00 0.10 0.00 -0.02 0.00 0.00 54.58 54.57 3hbl n ASN 1097Cb 0.49 0.00 0.44 0.00 -2.36 0.00 0.00 39.78 38.35 3hbl n ASN 1097CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3hbl n ALA 1098N 0.00 2.55 -2.09 -2.53 0.00 -1.26 -4.34 120.51 112.85 3hbl n ALA 1098Ca 0.00 -0.38 -0.41 0.00 0.00 0.00 0.00 53.44 52.65 3hbl n ALA 1098Cb 0.00 -1.17 -0.03 0.00 0.00 0.00 0.00 19.45 18.25 3hbl n ALA 1098CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3hbl s ASN 1099N -1.59 6.95 -0.39 0.00 0.02 -1.26 -4.68 114.94 114.00 3hbl s ASN 1099Ca 0.31 2.30 -0.24 0.00 -1.02 0.00 0.00 52.86 54.21 3hbl s ASN 1099Cb 0.16 -2.60 0.01 0.00 0.02 0.00 0.00 41.25 38.84 3hbl s ASN 1099CO 0.25 -0.50 0.83 -0.69 0.02 0.00 0.00 177.10 177.00 3hbl s VAL 1100N 0.34 4.66 0.18 1.60 1.01 -0.41 -4.90 120.40 122.88 3hbl s VAL 1100Ca 0.57 0.87 -0.25 0.00 0.00 0.00 0.00 61.98 63.17 3hbl s VAL 1100Cb -0.35 -4.27 -0.08 0.00 0.00 0.00 0.00 36.38 31.68 3hbl s VAL 1100CO 0.35 -0.53 0.79 -0.54 0.00 0.00 0.00 175.10 175.17 3hbl s LYS 1101N 3.27 4.56 0.47 2.72 -0.14 -1.26 -2.54 119.74 126.82 3hbl s LYS 1101Ca 0.33 1.16 -0.23 0.00 -1.36 0.00 0.00 55.97 55.86 3hbl s LYS 1101Cb -0.12 -3.21 -0.07 0.00 -1.68 0.00 0.00 37.83 32.75 3hbl s LYS 1101CO 0.19 0.54 1.27 -1.25 -0.76 0.00 0.00 175.35 175.35 3hbl s PRO 1102N -1.26 3.61 0.01 -1.68 0.04 -1.26 -4.85 135.00 129.61 3hbl s PRO 1102Ca 0.37 2.04 -0.30 0.00 0.04 0.00 0.00 61.00 63.15 3hbl s PRO 1102Cb -0.23 -2.46 -0.04 0.00 0.04 0.00 0.00 34.50 31.81 3hbl s PRO 1102CO 0.26 -0.75 1.12 0.15 0.04 0.00 0.00 177.00 177.82 3hbl s LYS 1103N -2.63 4.46 0.34 4.56 -0.14 -1.26 -1.12 119.74 123.93 3hbl s LYS 1103Ca 0.64 1.62 -0.29 0.00 -1.36 0.00 0.00 55.97 56.59 3hbl s LYS 1103Cb -0.35 -3.43 -0.11 0.00 -1.68 0.00 0.00 37.83 32.26 3hbl s LYS 1103CO 0.43 -0.23 1.52 0.00 -0.76 0.00 0.00 175.35 176.31 3hbl s ALA 1104N 1.31 3.64 -0.25 5.17 0.00 -0.96 -4.73 121.76 125.94 3hbl s ALA 1104Ca 0.56 1.55 -0.29 0.00 0.00 0.00 0.00 51.96 53.77 3hbl s ALA 1104Cb -0.25 -3.62 -0.01 0.00 0.00 0.00 0.00 23.12 19.24 3hbl s ALA 1104CO 0.27 -0.99 1.40 0.34 0.00 0.00 0.00 175.76 176.77 3hbl s ASP 1105N 0.10 6.62 0.08 0.00 2.15 -1.26 -4.92 116.67 119.44 3hbl s ASP 1105Ca 0.57 1.42 -0.17 0.00 0.43 0.00 0.00 52.55 54.80 3hbl s ASP 1105Cb -0.46 -2.54 -0.11 0.00 -0.30 0.00 0.00 42.92 39.51 3hbl s ASP 1105CO 0.56 -1.08 1.39 0.11 -0.17 0.00 0.00 175.17 175.98 3hbl h LYS 1106N 9.57 0.57 -1.87 4.34 1.57 -1.93 -3.06 116.57 125.76 3hbl h LYS 1106Ca -0.29 -0.30 -0.32 0.00 -1.87 0.00 0.00 60.65 57.87 3hbl h LYS 1106Cb 1.12 0.01 -0.12 0.00 0.08 0.00 0.00 32.23 33.32 3hbl h LYS 1106CO 1.01 0.89 0.18 -1.13 -0.57 0.00 0.00 179.45 179.83 3hbl n SER 1107N -4.38 6.06 -3.76 0.86 3.41 -1.26 -4.75 113.62 109.81 3hbl n SER 1107Ca -0.05 -2.91 -0.26 0.00 -0.26 0.00 0.00 58.87 55.39 3hbl n SER 1107Cb 0.43 -1.22 -0.17 0.00 -0.26 0.00 0.00 64.21 62.99 3hbl n SER 1107CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3hbl s ASN 1108N 0.87 2.50 0.49 4.04 2.47 -1.16 -5.04 114.94 119.11 3hbl s ASN 1108Ca 0.46 -0.59 0.18 0.00 0.42 0.00 0.00 52.86 53.34 3hbl s ASN 1108Cb 0.29 -0.57 1.22 0.00 -1.45 0.00 0.00 41.25 40.74 3hbl s ASN 1108CO -0.09 -0.26 2.07 1.55 -3.72 0.00 0.00 177.10 176.65 3hbl h PRO 1109N 8.26 0.00 -0.18 0.43 0.13 -1.88 -2.72 132.00 136.04 3hbl h PRO 1109Ca -0.18 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.87 3hbl h PRO 1109Cb 1.12 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 3hbl h PRO 1109CO 0.32 0.11 -0.19 0.77 -0.23 0.00 0.00 178.00 178.78 3hbl h SER 1110N 0.00 0.48 -2.74 1.44 0.02 -1.95 -3.44 113.55 107.36 3hbl h SER 1110Ca -0.00 -0.48 -0.56 0.00 -0.84 0.00 0.00 61.79 59.91 3hbl h SER 1110Cb 0.21 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.59 3hbl h SER 1110CO 0.01 0.86 1.12 -1.00 -1.14 0.00 0.00 176.83 176.69 3hbl s HIS 1111N -4.31 2.10 -0.13 3.45 3.76 -1.03 -2.21 115.29 116.92 3hbl s HIS 1111Ca -0.14 0.52 -0.14 0.00 -0.15 0.00 0.00 55.06 55.15 3hbl s HIS 1111Cb 0.06 -3.96 -0.05 0.00 1.11 0.00 0.00 32.58 29.74 3hbl s HIS 1111CO 0.77 -3.02 0.32 0.42 -0.85 0.00 0.00 174.74 172.38 3hbl s ILE 1112N 5.06 5.27 0.45 0.60 1.01 0.14 -4.87 121.20 128.85 3hbl s ILE 1112Ca 0.72 0.62 0.06 0.00 0.00 0.00 0.00 60.65 62.05 3hbl s ILE 1112Cb -0.26 -3.65 -0.02 0.00 0.01 0.00 0.00 42.46 38.53 3hbl s ILE 1112CO 0.29 0.42 0.24 -0.83 0.00 0.00 0.00 174.94 175.05 3hbl s GLY 1113N 0.22 2.38 -0.05 6.18 0.00 -1.26 -1.66 107.32 113.14 3hbl s GLY 1113Ca 0.19 -1.73 -0.22 0.00 0.00 0.00 0.00 44.72 42.96 3hbl s GLY 1113CO 0.06 -1.92 0.63 0.00 0.00 0.00 0.00 173.10 171.87 3hbl s ALA 1114N -2.65 3.41 -0.08 3.20 0.00 0.17 -4.83 121.76 120.98 3hbl s ALA 1114Ca 0.37 0.06 0.14 0.00 0.00 0.00 0.00 51.96 52.53 3hbl s ALA 1114Cb 0.01 -2.84 -0.09 0.00 0.00 0.00 0.00 23.12 20.21 3hbl s ALA 1114CO 0.21 0.01 1.10 1.96 0.00 0.00 0.00 175.76 179.04 3hbl h GLN 1115N 6.32 0.00 -4.15 0.00 7.50 -1.90 0.95 115.11 123.83 3hbl h GLN 1115Ca -0.43 0.00 -0.13 0.00 0.50 0.00 0.00 58.65 58.60 3hbl h GLN 1115Cb 1.20 0.00 -0.16 0.00 0.05 0.00 0.00 27.48 28.56 3hbl h GLN 1115CO 0.73 0.50 -0.66 0.00 -1.50 0.00 0.00 178.83 177.91 3hbl s MET 1116N -2.86 0.57 0.29 1.46 0.23 -1.26 -4.75 119.30 112.97 3hbl s MET 1116Ca -0.00 -1.07 -0.29 0.00 -1.03 0.00 0.00 55.69 53.30 3hbl s MET 1116Cb 0.08 0.20 -0.10 0.00 -1.53 0.00 0.00 34.83 33.49 3hbl s MET 1116CO 0.79 -0.11 1.32 -2.14 -2.03 0.00 0.00 175.02 172.85 3hbl s PRO 1117N -3.41 4.36 0.00 3.16 0.02 -1.26 -4.26 135.00 133.61 3hbl s PRO 1117Ca 0.02 2.18 0.00 0.00 0.02 0.00 0.00 61.00 63.22 3hbl s PRO 1117Cb 0.04 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.45 3hbl s PRO 1117CO -0.08 -0.23 0.00 0.41 -0.33 0.00 0.00 177.00 176.77 3hbl n GLY 1118N 1.38 1.34 3.39 0.52 0.00 -0.94 -4.62 105.19 106.27 3hbl n GLY 1118Ca 0.02 -0.63 -0.22 0.00 0.00 0.00 0.00 46.02 45.19 3hbl n GLY 1118CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hbl s SER 1119N 2.00 3.02 -0.62 1.61 0.01 -0.74 -0.44 113.70 118.54 3hbl s SER 1119Ca 0.00 -0.98 -0.21 0.00 1.31 0.00 0.00 55.95 56.07 3hbl s SER 1119Cb 0.00 -0.21 0.08 0.00 0.21 0.00 0.00 66.02 66.11 3hbl s SER 1119CO 0.00 -0.04 0.84 -0.69 0.41 0.00 0.00 173.24 173.75 3hbl s VAL 1120N -2.51 4.56 0.01 3.43 1.01 -0.43 -1.61 120.40 124.86 3hbl s VAL 1120Ca 0.24 -0.62 -0.22 0.00 0.00 0.00 0.00 61.98 61.38 3hbl s VAL 1120Cb -0.04 -4.58 -0.17 0.00 0.00 0.00 0.00 36.38 31.59 3hbl s VAL 1120CO 0.10 -1.28 1.28 0.74 0.00 0.00 0.00 175.10 175.94 3hbl h THR 1121N 5.95 1.39 -3.03 3.92 2.02 -1.28 1.20 112.91 123.07 3hbl h THR 1121Ca -0.29 -1.36 -0.15 0.00 0.77 0.00 0.00 66.41 65.37 3hbl h THR 1121Cb 1.08 2.08 -0.25 0.00 -1.74 0.00 0.00 68.15 69.31 3hbl h THR 1121CO 1.13 0.39 -0.38 -0.70 0.37 0.00 0.00 175.52 176.33 3hbl s GLU 1122N -4.12 0.34 -0.18 6.66 2.12 -0.97 -4.65 118.70 117.90 3hbl s GLU 1122Ca -0.15 0.41 -0.09 0.00 0.36 0.00 0.00 54.97 55.51 3hbl s GLU 1122Cb 0.04 0.16 -0.05 0.00 0.26 0.00 0.00 34.13 34.54 3hbl s GLU 1122CO 0.73 -0.04 0.11 0.54 -0.54 0.00 0.00 175.26 176.06 3hbl s VAL 1123N 0.19 5.20 -0.12 3.70 0.11 -1.26 -2.00 120.40 126.23 3hbl s VAL 1123Ca -0.00 0.11 0.03 0.00 -2.93 0.00 0.00 61.98 59.19 3hbl s VAL 1123Cb -0.02 -3.34 -0.04 0.00 -1.53 0.00 0.00 36.38 31.44 3hbl s VAL 1123CO 0.00 0.48 0.12 0.29 -3.33 0.00 0.00 175.10 172.66 3hbl n LYS 1124N 3.26 4.33 -4.18 1.54 4.76 -1.13 -5.03 118.16 121.71 3hbl n LYS 1124Ca -0.17 -0.01 -0.12 0.00 -2.87 0.00 0.00 58.31 55.14 3hbl n LYS 1124Cb 0.53 -0.77 -0.10 0.00 -1.84 0.00 0.00 35.03 32.84 3hbl n LYS 1124CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 3hbl s VAL 1125N -1.56 0.82 0.22 -0.18 -7.23 -1.23 -4.99 120.40 106.24 3hbl s VAL 1125Ca 0.01 -1.82 0.04 0.00 -1.81 0.00 0.00 61.98 58.39 3hbl s VAL 1125Cb 0.02 -1.55 -0.01 0.00 0.56 0.00 0.00 36.38 35.40 3hbl s VAL 1125CO 0.14 -0.74 0.13 -0.24 -0.31 0.00 0.00 175.10 174.08 3hbl n SER 1126N 0.18 0.26 -4.59 4.85 2.88 -1.26 -4.95 113.62 110.98 3hbl n SER 1126Ca -0.13 -2.28 -0.42 0.00 -1.33 0.00 0.00 58.87 54.70 3hbl n SER 1126Cb 0.60 0.82 -0.03 0.00 -0.75 0.00 0.00 64.21 64.84 3hbl n SER 1126CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 3hbl s VAL 1127N -2.64 3.36 0.00 2.46 1.01 -1.26 -3.51 120.40 119.81 3hbl s VAL 1127Ca 0.18 0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.52 3hbl s VAL 1127Cb 0.01 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.88 3hbl s VAL 1127CO 0.13 -0.34 0.00 0.61 0.00 0.00 0.00 175.10 175.50 3hbl n GLY 1128N 5.53 0.79 3.25 4.51 0.00 -0.80 -5.05 105.19 113.41 3hbl n GLY 1128Ca 0.25 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.95 3hbl n GLY 1128CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hbl s GLU 1129N 0.42 2.74 -0.35 1.61 2.02 -1.23 -4.96 118.70 118.95 3hbl s GLU 1129Ca 0.00 -0.89 0.03 0.00 0.02 0.00 0.00 54.97 54.13 3hbl s GLU 1129Cb 0.00 -2.21 0.10 0.00 0.10 0.00 0.00 34.13 32.12 3hbl s GLU 1129CO 0.00 0.30 0.08 0.99 0.02 0.00 0.00 175.26 176.65 3hbl s THR 1130N 0.04 2.04 0.10 3.63 2.01 -1.26 -3.02 115.64 119.17 3hbl s THR 1130Ca -0.10 -2.27 0.04 0.00 0.31 0.00 0.00 61.69 59.67 3hbl s THR 1130Cb -0.15 -2.50 -0.04 0.00 0.01 0.00 0.00 72.50 69.82 3hbl s THR 1130CO 0.06 -0.64 -0.11 -0.69 -0.69 0.00 0.00 174.62 172.55 3hbl s VAL 1131N 0.91 0.97 1.25 3.82 1.01 -1.25 -5.04 120.40 122.07 3hbl s VAL 1131Ca 0.11 -1.61 -0.17 0.00 0.00 0.00 0.00 61.98 60.32 3hbl s VAL 1131Cb -0.19 -1.33 0.29 0.00 0.00 0.00 0.00 36.38 35.14 3hbl s VAL 1131CO -0.10 -0.52 0.77 0.29 0.00 0.00 0.00 175.10 175.54 3hbl n LYS 1132N 0.63 -3.02 -1.78 2.72 4.01 -1.26 -4.02 118.16 115.44 3hbl n LYS 1132Ca -0.17 -0.87 -0.37 0.00 -0.51 0.00 0.00 58.31 56.39 3hbl n LYS 1132Cb 0.57 -1.99 0.05 0.00 -0.51 0.00 0.00 35.03 33.16 3hbl n LYS 1132CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3hbl s ALA 1133N -2.28 2.57 0.00 7.82 0.00 -1.26 -3.29 121.76 125.32 3hbl s ALA 1133Ca 0.65 1.25 0.00 0.00 0.00 0.00 0.00 51.96 53.85 3hbl s ALA 1133Cb -0.19 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.38 3hbl s ALA 1133CO 0.62 -1.47 0.00 0.09 0.00 0.00 0.00 175.76 175.00 3hbl n ASN 1134N -1.52 -2.78 -4.70 0.00 3.02 -0.80 -4.96 115.26 103.51 3hbl n ASN 1134Ca 0.13 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.26 3hbl n ASN 1134Cb 0.47 -0.46 -0.03 0.00 -0.61 0.00 0.00 39.78 39.15 3hbl n ASN 1134CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hbl s GLN 1135N -0.03 4.32 -1.16 3.52 -2.07 -1.21 -4.72 119.66 118.30 3hbl s GLN 1135Ca 0.00 1.98 -0.23 0.00 -1.82 0.00 0.00 55.36 55.29 3hbl s GLN 1135Cb 0.00 -3.41 -0.08 0.00 -1.09 0.00 0.00 33.01 28.42 3hbl s GLN 1135CO 0.00 -0.47 1.93 -1.25 -1.32 0.00 0.00 175.29 174.18 3hbl s PRO 1136N 1.70 2.51 0.00 9.60 0.04 -1.26 -3.18 135.00 144.41 3hbl s PRO 1136Ca 0.63 -1.11 0.25 0.00 0.04 0.00 0.00 61.00 60.82 3hbl s PRO 1136Cb -0.33 -5.23 0.54 0.00 0.04 0.00 0.00 34.50 29.51 3hbl s PRO 1136CO 0.28 -3.92 1.44 1.47 0.04 0.00 0.00 177.00 176.31 3hbl n LEU 1137N 14.30 0.48 -3.61 -3.56 -0.00 -0.78 -4.84 117.00 118.99 3hbl n LEU 1137Ca 0.44 0.02 -0.02 0.00 -0.00 0.00 0.00 56.01 56.46 3hbl n LEU 1137Cb 0.47 -0.26 -0.05 0.00 -0.00 0.00 0.00 43.42 43.58 3hbl n LEU 1137CO 0.67 0.12 0.35 -0.22 -0.00 0.00 0.00 177.39 178.31 3hbl s LEU 1138N -3.02 -1.00 -0.24 1.47 2.96 -1.21 -2.84 118.68 114.80 3hbl s LEU 1138Ca 0.11 1.41 -0.10 0.00 -0.22 0.00 0.00 54.13 55.33 3hbl s LEU 1138Cb 0.18 2.20 -0.05 0.00 0.50 0.00 0.00 46.19 49.02 3hbl s LEU 1138CO 0.69 -0.20 0.15 -0.63 -1.32 0.00 0.00 176.35 175.04 3hbl s ILE 1139N 2.52 5.24 0.45 6.68 1.01 -0.85 -0.84 121.20 135.42 3hbl s ILE 1139Ca -0.06 0.14 0.07 0.00 0.00 0.00 0.00 60.65 60.79 3hbl s ILE 1139Cb -0.09 -3.45 -0.02 0.00 0.01 0.00 0.00 42.46 38.91 3hbl s ILE 1139CO -0.19 0.33 0.30 0.42 0.00 0.00 0.00 174.94 175.81 3hbl s THR 1140N 1.18 2.19 -0.23 2.92 -4.23 -0.92 -0.86 115.64 115.69 3hbl s THR 1140Ca 0.07 -1.54 -0.00 0.00 -1.18 0.00 0.00 61.69 59.04 3hbl s THR 1140Cb -0.14 -2.73 0.06 0.00 1.34 0.00 0.00 72.50 71.04 3hbl s THR 1140CO 0.05 0.00 -0.01 -0.70 -0.54 0.00 0.00 174.62 173.42 3hbl s GLU 1141N -4.08 1.25 0.00 3.99 2.56 -0.63 -2.81 118.70 118.97 3hbl s GLU 1141Ca 0.40 -0.83 0.00 0.00 0.00 0.00 0.00 54.97 54.55 3hbl s GLU 1141Cb -0.00 -2.41 0.00 0.00 2.00 0.00 0.00 34.13 33.72 3hbl s GLU 1141CO 0.23 -0.64 0.22 0.00 -0.56 0.00 0.00 175.26 174.51 3hbl n ALA 1142N 4.80 -0.07 -3.07 6.30 0.00 0.36 -1.79 120.51 127.04 3hbl n ALA 1142Ca -0.10 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.17 3hbl n ALA 1142Cb 0.45 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.86 3hbl n ALA 1142CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hbl n MET 1143N -1.16 0.49 -1.40 0.00 -0.00 -1.26 -4.51 117.12 109.27 3hbl n MET 1143Ca 0.00 -2.64 -0.07 0.00 -0.00 0.00 0.00 57.70 55.00 3hbl n MET 1143Cb 0.00 -1.49 -0.02 0.00 -0.00 0.00 0.00 33.22 31.71 3hbl n MET 1143CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 3hbl n LYS 1144N 2.38 -0.48 -4.09 3.17 5.02 -1.26 -5.04 118.16 117.86 3hbl n LYS 1144Ca 0.21 0.65 -0.23 0.00 -2.02 0.00 0.00 58.31 56.92 3hbl n LYS 1144Cb 0.54 -4.45 -0.17 0.00 -0.02 0.00 0.00 35.03 30.93 3hbl n LYS 1144CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 3hbl s MET 1145N -2.96 1.05 -0.18 1.97 -1.94 -1.26 -5.13 119.30 110.85 3hbl s MET 1145Ca 0.00 -0.13 -0.19 0.00 -1.71 0.00 0.00 55.69 53.66 3hbl s MET 1145Cb 0.00 -1.11 -0.03 0.00 2.01 0.00 0.00 34.83 35.70 3hbl s MET 1145CO 0.00 -0.15 0.55 -1.21 -0.01 0.00 0.00 175.02 174.20 3hbl s GLU 1146N 1.28 4.23 -0.15 2.03 2.02 -1.26 -0.48 118.70 126.36 3hbl s GLU 1146Ca -0.05 0.49 0.02 0.00 0.02 0.00 0.00 54.97 55.45 3hbl s GLU 1146Cb -0.14 -3.54 0.01 0.00 0.10 0.00 0.00 34.13 30.56 3hbl s GLU 1146CO -0.02 -0.12 -0.21 0.95 0.02 0.00 0.00 175.26 175.88 3hbl s THR 1147N 1.52 2.07 -0.54 3.63 -4.23 -1.12 -4.99 115.64 111.98 3hbl s THR 1147Ca 0.26 -0.96 -0.22 0.00 -1.18 0.00 0.00 61.69 59.58 3hbl s THR 1147Cb -0.16 -1.84 0.05 0.00 1.34 0.00 0.00 72.50 71.89 3hbl s THR 1147CO 0.10 0.55 0.83 0.28 -0.54 0.00 0.00 174.62 175.84 3hbl s THR 1148N 0.99 4.55 0.03 3.99 -1.32 -1.26 -2.18 115.64 120.44 3hbl s THR 1148Ca -0.03 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.15 3hbl s THR 1148Cb -0.15 -4.46 -0.06 0.00 -1.51 0.00 0.00 72.50 66.32 3hbl s THR 1148CO -0.06 -1.01 1.38 -0.63 -2.21 0.00 0.00 174.62 172.08 3hbl s ILE 1149N 3.50 3.66 0.13 5.08 1.01 -0.02 -4.95 121.20 129.61 3hbl s ILE 1149Ca 0.25 1.10 0.10 0.00 0.00 0.00 0.00 60.65 62.10 3hbl s ILE 1149Cb -0.15 -3.71 -0.04 0.00 0.01 0.00 0.00 42.46 38.57 3hbl s ILE 1149CO 0.17 0.03 -0.21 -1.10 0.00 0.00 0.00 174.94 173.82 3hbl s GLN 1150N 1.97 1.67 0.25 2.79 -0.21 -1.26 -1.87 119.66 123.00 3hbl s GLN 1150Ca 0.63 -1.25 -0.30 0.00 0.02 0.00 0.00 55.36 54.47 3hbl s GLN 1150Cb -0.32 -2.04 -0.09 0.00 1.00 0.00 0.00 33.01 31.56 3hbl s GLN 1150CO 0.28 0.47 1.15 0.00 -2.12 0.00 0.00 175.29 175.06 3hbl s ALA 1151N -1.16 3.42 0.17 6.09 0.00 -1.19 -4.89 121.76 124.20 3hbl s ALA 1151Ca 0.17 0.95 0.15 0.00 0.00 0.00 0.00 51.96 53.23 3hbl s ALA 1151Cb -0.10 -3.37 0.48 0.00 0.00 0.00 0.00 23.12 20.12 3hbl s ALA 1151CO 0.09 -0.28 1.65 -1.35 0.00 0.00 0.00 175.76 175.87 3hbl h PRO 1152N 4.29 0.00 -3.63 0.00 0.11 -1.96 -2.13 132.00 128.68 3hbl h PRO 1152Ca -0.46 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.58 3hbl h PRO 1152Cb 1.21 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.19 3hbl h PRO 1152CO 0.69 0.50 -0.22 -0.59 -0.21 0.00 0.00 178.00 178.17 3hbl s PHE 1153N -3.50 0.05 0.12 0.65 -0.12 -1.26 -4.84 117.98 109.07 3hbl s PHE 1153Ca 0.00 -0.42 -0.31 0.00 -0.05 0.00 0.00 56.93 56.15 3hbl s PHE 1153Cb 0.11 0.09 -0.10 0.00 -0.63 0.00 0.00 43.02 42.50 3hbl s PHE 1153CO 0.72 -0.66 1.70 -0.51 -0.05 0.00 0.00 175.22 176.42 3hbl s ASP 1154N -2.86 6.52 0.00 1.98 -0.00 -1.26 -4.23 116.67 116.82 3hbl s ASP 1154Ca 0.07 2.63 0.00 0.00 -0.00 0.00 0.00 52.55 55.25 3hbl s ASP 1154Cb 0.03 -2.57 0.00 0.00 -0.00 0.00 0.00 42.92 40.38 3hbl s ASP 1154CO -0.09 -0.92 0.00 0.61 -0.00 0.00 0.00 175.17 174.77 3hbl n GLY 1155N 4.02 0.79 3.17 0.21 0.00 -1.26 -4.95 105.19 107.18 3hbl n GLY 1155Ca 0.16 -0.67 -0.27 0.00 0.00 0.00 0.00 46.02 45.24 3hbl n GLY 1155CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hbl s VAL 1156N -2.09 1.57 -0.16 1.61 -7.23 -1.25 -3.90 120.40 108.94 3hbl s VAL 1156Ca 0.00 -0.81 -0.29 0.00 -1.81 0.00 0.00 61.98 59.07 3hbl s VAL 1156Cb 0.00 -1.33 -0.00 0.00 0.56 0.00 0.00 36.38 35.61 3hbl s VAL 1156CO 0.00 0.45 1.02 -0.63 -0.31 0.00 0.00 175.10 175.63 3hbl s ILE 1157N -0.13 4.73 -0.18 -0.62 1.09 -1.17 -2.12 121.20 122.80 3hbl s ILE 1157Ca -0.01 2.03 -0.17 0.00 -1.10 0.00 0.00 60.65 61.41 3hbl s ILE 1157Cb -0.11 -4.31 -0.21 0.00 -1.06 0.00 0.00 42.46 36.77 3hbl s ILE 1157CO 0.02 -0.08 0.25 1.17 -0.10 0.00 0.00 174.94 176.19 3hbl n LYS 1158N 5.62 0.63 -3.86 2.79 3.00 -0.04 -1.91 118.16 124.39 3hbl n LYS 1158Ca 0.10 0.48 -0.13 0.00 -0.00 0.00 0.00 58.31 58.76 3hbl n LYS 1158Cb 0.47 -1.73 -0.15 0.00 0.00 0.00 0.00 35.03 33.63 3hbl n LYS 1158CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.40 178.54 3hbl s GLN 1159N -2.43 0.02 -0.32 1.64 -2.07 -1.25 -4.78 119.66 110.47 3hbl s GLN 1159Ca -0.27 0.05 -0.03 0.00 -1.82 0.00 0.00 55.36 53.28 3hbl s GLN 1159Cb 0.06 -0.10 0.05 0.00 -1.09 0.00 0.00 33.01 31.93 3hbl s GLN 1159CO 0.64 -0.05 0.05 0.08 -1.32 0.00 0.00 175.29 174.69 3hbl s VAL 1160N 0.33 3.26 -1.18 3.63 1.01 -1.26 -2.77 120.40 123.43 3hbl s VAL 1160Ca -0.03 -1.35 0.28 0.00 0.00 0.00 0.00 61.98 60.89 3hbl s VAL 1160Cb -0.04 -2.89 0.34 0.00 0.00 0.00 0.00 36.38 33.79 3hbl s VAL 1160CO -0.01 -0.17 1.93 0.41 0.00 0.00 0.00 175.10 177.27 3hbl n THR 1161N 4.68 0.08 -4.13 3.92 -1.04 0.16 -4.87 114.28 113.08 3hbl n THR 1161Ca -0.12 0.02 -0.13 0.00 -2.04 0.00 0.00 64.05 61.78 3hbl n THR 1161Cb 0.44 -0.54 -0.11 0.00 -1.82 0.00 0.00 70.33 68.29 3hbl n THR 1161CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 3hbl s VAL 1162N -2.82 0.72 0.32 12.58 -7.23 -1.26 -4.91 120.40 117.80 3hbl s VAL 1162Ca 0.19 -1.52 0.10 0.00 -1.81 0.00 0.00 61.98 58.94 3hbl s VAL 1162Cb 0.19 -1.18 -0.06 0.00 0.56 0.00 0.00 36.38 35.88 3hbl s VAL 1162CO 0.48 -0.59 -0.12 0.20 -0.31 0.00 0.00 175.10 174.76 3hbl s ASN 1163N -2.31 3.72 -0.29 4.85 -0.87 -1.26 -5.00 114.94 113.78 3hbl s ASN 1163Ca 0.02 -1.13 -0.39 0.00 -1.57 0.00 0.00 52.86 49.78 3hbl s ASN 1163Cb -0.03 -0.35 -0.15 0.00 -0.02 0.00 0.00 41.25 40.70 3hbl s ASN 1163CO -0.01 -0.12 1.85 0.59 -2.57 0.00 0.00 177.10 176.83 3hbl n ASN 1164N -0.75 2.35 0.00 -1.22 4.13 -1.26 -2.23 115.26 116.28 3hbl n ASN 1164Ca -0.05 0.95 0.00 0.00 1.68 0.00 0.00 54.58 57.16 3hbl n ASN 1164Cb 0.62 -1.16 0.00 0.00 -1.54 0.00 0.00 39.78 37.70 3hbl n ASN 1164CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3hbl n GLY 1165N 4.75 0.76 3.73 7.41 0.00 0.41 -4.98 105.19 117.27 3hbl n GLY 1165Ca 0.30 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.91 3hbl n GLY 1165CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hbl s ASP 1166N -2.46 7.46 0.20 1.61 1.01 -0.95 -4.68 116.67 118.86 3hbl s ASP 1166Ca 0.00 1.88 -0.30 0.00 0.71 0.00 0.00 52.55 54.84 3hbl s ASP 1166Cb 0.00 -2.59 -0.08 0.00 1.01 0.00 0.00 42.92 41.25 3hbl s ASP 1166CO 0.00 -0.08 1.17 0.42 0.21 0.00 0.00 175.17 176.90 3hbl s THR 1167N -0.19 3.59 0.24 -1.27 -4.23 -1.26 -1.32 115.64 111.21 3hbl s THR 1167Ca 0.47 1.38 0.11 0.00 -1.18 0.00 0.00 61.69 62.47 3hbl s THR 1167Cb -0.25 -3.88 -0.05 0.00 1.34 0.00 0.00 72.50 69.66 3hbl s THR 1167CO 0.31 0.24 -0.19 0.27 -0.54 0.00 0.00 174.62 174.71 3hbl s ILE 1168N -0.24 2.57 0.34 2.99 -4.36 0.41 -4.97 121.20 117.94 3hbl s ILE 1168Ca 0.51 -2.17 0.06 0.00 -0.26 0.00 0.00 60.65 58.79 3hbl s ILE 1168Cb -0.32 -2.30 -0.07 0.00 1.25 0.00 0.00 42.46 41.02 3hbl s ILE 1168CO 0.37 -0.27 0.00 0.00 0.24 0.00 0.00 174.94 175.29 3hbl s ALA 1169N -2.11 2.65 -0.06 2.27 0.00 -1.26 -2.21 121.76 121.04 3hbl s ALA 1169Ca 0.26 -2.10 -0.30 0.00 0.00 0.00 0.00 51.96 49.83 3hbl s ALA 1169Cb -0.07 0.33 -0.06 0.00 0.00 0.00 0.00 23.12 23.32 3hbl s ALA 1169CO 0.13 -0.16 1.84 0.99 0.00 0.00 0.00 175.76 178.57 3hbl s THR 1170N -2.99 3.30 0.00 0.00 2.01 -1.26 -2.57 115.64 114.13 3hbl s THR 1170Ca 0.34 0.36 0.00 0.00 0.31 0.00 0.00 61.69 62.70 3hbl s THR 1170Cb 0.07 -3.26 0.00 0.00 0.01 0.00 0.00 72.50 69.32 3hbl s THR 1170CO 0.15 -0.06 0.00 0.61 -0.69 0.00 0.00 174.62 174.63 3hbl n GLY 1171N 4.56 0.72 3.73 4.40 0.00 0.33 -5.00 105.19 113.93 3hbl n GLY 1171Ca 0.20 -0.29 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 3hbl n GLY 1171CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hbl s ASP 1172N -2.26 7.40 0.18 1.61 -0.00 -1.06 -2.27 116.67 120.27 3hbl s ASP 1172Ca 0.00 1.68 -0.30 0.00 -0.00 0.00 0.00 52.55 53.92 3hbl s ASP 1172Cb 0.00 -2.55 -0.09 0.00 -0.00 0.00 0.00 42.92 40.29 3hbl s ASP 1172CO 0.00 -0.05 1.33 -0.22 -0.00 0.00 0.00 175.17 176.23 3hbl s LEU 1173N 0.03 4.40 0.02 1.23 2.96 -0.28 0.46 118.68 127.50 3hbl s LEU 1173Ca 0.44 2.39 0.00 0.00 -0.22 0.00 0.00 54.13 56.75 3hbl s LEU 1173Cb -0.22 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 42.86 3hbl s LEU 1173CO 0.28 -0.56 0.00 0.18 -1.32 0.00 0.00 176.35 174.93 3hbl n LEU 1174N 2.89 0.14 -4.09 -0.68 4.77 -0.66 -4.72 117.00 114.64 3hbl n LEU 1174Ca 0.07 0.02 -0.20 0.00 -0.03 0.00 0.00 56.01 55.88 3hbl n LEU 1174Cb 0.43 -0.04 -0.14 0.00 -2.33 0.00 0.00 43.42 41.34 3hbl n LEU 1174CO 0.58 -0.14 -0.45 -0.63 -1.33 0.00 0.00 177.39 175.42 3hbl s ILE 1175N -2.00 0.96 -0.10 -0.08 -1.09 -1.18 -0.67 121.20 117.05 3hbl s ILE 1175Ca 0.00 -0.69 0.02 0.00 -2.23 0.00 0.00 60.65 57.75 3hbl s ILE 1175Cb 0.00 -0.84 0.01 0.00 -1.58 0.00 0.00 42.46 40.06 3hbl s ILE 1175CO 0.00 0.15 -0.15 -0.70 -1.23 0.00 0.00 174.94 173.00 3hbl s GLU 1176N -0.62 2.19 -0.05 2.79 2.12 -1.11 0.25 118.70 124.27 3hbl s GLU 1176Ca 0.03 -0.56 0.03 0.00 0.36 0.00 0.00 54.97 54.83 3hbl s GLU 1176Cb -0.06 -1.84 0.01 0.00 0.26 0.00 0.00 34.13 32.49 3hbl s GLU 1176CO 0.00 -0.04 -0.13 0.42 -0.54 0.00 0.00 175.26 174.97 3hbl s ILE 1177N 0.91 1.14 -2.00 -3.70 1.01 -0.94 -0.86 121.20 116.76 3hbl s ILE 1177Ca -0.08 -0.52 0.14 0.00 0.00 0.00 0.00 60.65 60.18 3hbl s ILE 1177Cb -0.15 -1.02 0.40 0.00 0.01 0.00 0.00 42.46 41.70 3hbl s ILE 1177CO -0.00 0.35 1.26 -0.62 0.00 0.00 0.00 174.94 175.92